1,3-dichloropropane profile

## 1,3-Dichloropropene: A Versatile Chemical with Research Significance

1,3-Dichloropropene is a **colorless, flammable liquid** with a pungent odor. It's an **organic compound** with the chemical formula C₃H₄Cl₂. It exists as two isomers:

* **1,3-dichloropropene (1,3-DCP)**: This is the most common isomer and the one usually referred to when discussing 1,3-dichloropropene.
* **cis-1,3-dichloropropene (cis-1,3-DCP)**: This isomer is less common and is used for specific applications.

Here's why 1,3-dichloropropene is important for research:

**1. Fumigant and Pesticide:**

* 1,3-DCP is a **powerful fumigant** used to control **pests in soil** like nematodes, fungi, and weeds. This is because it readily penetrates the soil and is effective at low concentrations.
* It's also used as a **pesticide** in various agricultural applications.

**2. Industrial Applications:**

* 1,3-DCP is used as a **precursor** in the production of **synthetic polymers, resins, and other chemicals.**
* It's also a **solvent** for certain organic compounds.

**3. Research Focus:**

* **Environmental Impact:** 1,3-DCP is a **volatile organic compound** and its presence in the environment is being studied due to potential health and ecological risks.
* **Health Effects:** Studies on the **toxicity of 1,3-DCP** are ongoing, focusing on its potential for **carcinogenicity, mutagenicity, and neurotoxicity.**
* **Analytical Chemistry:** 1,3-DCP is a useful compound for **developing new analytical techniques** for detecting and quantifying other organic compounds.

**4. Specific Applications:**

* **Soil Science:** Researchers study 1,3-DCP to understand its **impact on soil microorganisms, nutrient cycling, and plant growth.**
* **Toxicology:** 1,3-DCP is being investigated to assess its **health risks to humans and animals** through different exposure routes.
* **Environmental Chemistry:** Researchers analyze 1,3-DCP in **air, water, and soil samples** to monitor its distribution and degradation in the environment.

**In summary:**

1,3-Dichloropropene is a versatile chemical with a wide range of applications. Its use as a fumigant and pesticide, coupled with its importance in industrial processes, has fueled extensive research into its environmental impact, health effects, and analytical properties.

1,3-dichloropropane : A chloroalkane that is propane in which a hydrogen from each of the terminal methyl groups has been replaced by a chlorine. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

ID Source	ID
PubMed CID	8881
CHEMBL ID	157427
CHEBI ID	137978
SCHEMBL ID	29249
MeSH ID	M0184842

Synonym
0cl ,
nsc-6204
nsc6204
trimethylene dichloride
142-28-9
1,3-dichloropropane
wln: g3g
propane,3-dichloro-
nsc 6204
einecs 205-531-3
ccris 9220
hsdb 5482
r 270fa
inchi=1/c3h6cl2/c4-2-1-3-5/h1-3h
propane, 1,3-dichloro-
NCGC00091672-01
1,3-dichloropropane, 99%
ch2clch2ch2cl
clch2ch2ch2cl
CHEBI:137978
cl(ch2)3cl
trimethylene chloride
D0399
AKOS000269050
1,3-dichloro-propane
CHEMBL157427
S0642
NCGC00091672-02
aj1hq2gucp ,
unii-aj1hq2gucp
NCGC00258692-01
dtxcid802004
cas-142-28-9
tox21_201140
dtxsid6022004 ,
26638-19-7
FT-0606652
FT-0624729
FT-0624730
dichloropropane, 1,3-
1,3-dichloropropane [hsdb]
1,3-propylene dichloride
1.3-dichloropropane
SCHEMBL29249
STR02541
mfcd00000999
1,3-dichloropropane, pestanal(r), analytical standard
1,3-dichloropropane, purum, >=98.0% (gc)
1,3-dichloropropane; nsc 6204; r 270fa; trimethylene dichloride
J-007632
Q2436290
AMY22013
EN300-19279
D89645

Excerpt	Relevance	Reference
" Testing times after dosing varied among compounds and were based on pilot studies to measure both the times of peak effect and recovery."	( A comparison of the acute neuroactive effects of dichloromethane, 1,3-dichloropropane, and 1,2-dichlorobenzene on rat flash evoked potentials (FEPs). Boyes, WK; Herr, DW, 1997)	0.53

Role	Description
environmental contaminant	Any minor or unwanted substance introduced into the environment that can have undesired effects.
nematicide	A substance used to destroy pests of the phylum Nematoda (roundworms).
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Class	Description
chloroalkane	Any haloalkane that consists of an alkane substituted by at least one chloro group.
chlorohydrocarbon	A compound derived from a hydrocarbon by replacing at least one hydrogen atom with a chlorine atom.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE	Homo sapiens (human)	Potency	8.9125	0.0032	45.4673	12,589.2998	AID2517
Chain A, TYROSYL-DNA PHOSPHODIESTERASE	Homo sapiens (human)	Potency	3.5481	0.0040	23.8416	100.0000	AID485290
aldehyde dehydrogenase 1 family, member A1	Homo sapiens (human)	Potency	3.9811	0.0112	12.4002	100.0000	AID1030
thyroid stimulating hormone receptor	Homo sapiens (human)	Potency	15.8489	0.0013	18.0743	39.8107	AID926; AID938
retinoic acid nuclear receptor alpha variant 1	Homo sapiens (human)	Potency	64.9421	0.0030	41.6115	22,387.1992	AID1159553
estrogen nuclear receptor alpha	Homo sapiens (human)	Potency	32.5481	0.0002	29.3054	16,493.5996	AID743080
cytochrome P450, family 19, subfamily A, polypeptide 1, isoform CRA_a	Homo sapiens (human)	Potency	64.9421	0.0017	23.8393	78.1014	AID743083
thyroid hormone receptor beta isoform a	Homo sapiens (human)	Potency	0.3548	0.0100	39.5371	1,122.0200	AID588545
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Assay ID	Title	Year	Journal	Article
AID19825	Partition coefficient (logP)	1995	Journal of medicinal chemistry, Feb-17, Volume: 38, Issue:4	Molecular similarity matrices and quantitative structure-activity relationships: a case study with methodological implications.
AID37563	Aneuploidy activity was determined; - indicates negative induction of aneuploidy in Aspergillus nidulans	1995	Journal of medicinal chemistry, Feb-17, Volume: 38, Issue:4	Molecular similarity matrices and quantitative structure-activity relationships: a case study with methodological implications.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	8 (50.00)	18.2507
2000's	4 (25.00)	29.6817
2010's	2 (12.50)	24.3611
2020's	2 (12.50)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	1 (5.88%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	16 (94.12%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
ethylene dichloride ethylene dichloride: RN given refers to 1,2-isomer; structure given in first source. 1,2-dichloroethane : A member of the class of chloroethanes substituted by two chloro groups at positions 1 and 2.	2.92	4	chloroethanes	hepatotoxic agent; mutagen; non-polar solvent
acetone methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H).	1.98	1	ketone body; methyl ketone; propanones; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent
guaiacol Guaiacol: An agent thought to have disinfectant properties and used as an expectorant. (From Martindale, The Extra Pharmacopoeia, 30th ed, p747). methylcatechol : Any member of the class of catechols carrying one or more methyl substituents.. guaiacol : A monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position.	3.08	1	guaiacols	disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite
propylene glycol Propylene Glycol: A clear, colorless, viscous organic solvent and diluent used in pharmaceutical preparations.. propane-1,2-diol : The simplest member of the class of propane-1,2-diols, consisting of propane in which a hydrogen at position 1 and a hydrogen at position 2 are substituted by hydroxy groups. A colourless, viscous, hygroscopic, low-melting (-59degreeC) and high-boiling (188degreeC) liquid with low toxicity, it is used as a solvent, emulsifying agent, and antifreeze.	2.13	1	glycol; propane-1,2-diols	allergen; human xenobiotic metabolite; mouse metabolite; protic solvent
methylene bromide methylene bromide: RN given refers to parent cpd. dibromomethane : A member of the class of bromomethanes that is methane substituted by two bromo groups. It is produced by marine algae.	1.97	1	bromohydrocarbon; bromomethanes	algal metabolite; marine metabolite
phenobarbital Phenobarbital: A barbituric acid derivative that acts as a nonselective central nervous system depressant. It potentiates GAMMA-AMINOBUTYRIC ACID action on GABA-A RECEPTORS, and modulates chloride currents through receptor channels. It also inhibits glutamate induced depolarizations.. phenobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and phenyl groups.	1.98	1	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
bromoform bromoform: structure	1.98	1	bromohydrocarbon; bromomethanes
carbon tetrachloride Carbon Tetrachloride: A solvent for oils, fats, lacquers, varnishes, rubber waxes, and resins, and a starting material in the manufacturing of organic compounds. Poisoning by inhalation, ingestion or skin absorption is possible and may be fatal. (Merck Index, 11th ed). tetrachloromethane : A chlorocarbon that is methane in which all the hydrogens have been replaced by chloro groups.	1.98	1	chlorocarbon; chloromethanes	hepatotoxic agent; refrigerant
chloroform Chloroform: A commonly used laboratory solvent. It was previously used as an anesthetic, but was banned from use in the U.S. due to its suspected carcinogenicity.. chloroform : A one-carbon compound that is methane in which three of the hydrogens are replaced by chlorines.	1.98	1	chloromethanes; one-carbon compound	carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant
hexachloroethane [no description available]	1.98	1	chlorocarbon; chloroethanes	carcinogenic agent; refrigerant
1,1,1-trichloroethane Trichloroethanes: Chlorinated ethanes which are used extensively as industrial solvents. They have been utilized in numerous home-use products including spot remover preparations and inhalant decongestant sprays. These compounds cause central nervous system and cardiovascular depression and are hepatotoxic. Include 1,1,1- and 1,1,2-isomers.. 1,1,1-trichloroethane : A member of the class of chloroethanes carrying three chloro substituents at position 1.	1.98	1	chloroethanes	polar solvent
bromoethane bromoethane : A bromoalkane that is ethane carrying a bromo substituent. It is an alkylating agent used as a chemical intermediate in various organic syntheses.	1.98	1	bromoalkane; bromohydrocarbon; volatile organic compound	alkylating agent; carcinogenic agent; local anaesthetic; refrigerant; solvent
bromochloromethane bromochloromethane: inhibitor of ruminal methane production. bromochloromethane : A halomethane that is chloromethane in which one of the hydrogens has been replaced by a bromine atom.	1.98	1	halomethane
propane Propane: A three carbon alkane with the formula H3CCH2CH3.	5.19	15	alkane; gas molecular entity	food propellant
methylene chloride Methylene Chloride: A chlorinated hydrocarbon that has been used as an inhalation anesthetic and acts as a narcotic in high concentrations. Its primary use is as a solvent in manufacturing and food technology.. dichloromethane : A member of the class of chloromethanes that is methane in which two of the hydrogens have been replaced by chlorine. A dense, non-flammible colourless liquid at room temperature (b.p. 40degreeC, d = 1.33) which is immiscible with water, it is widely used as a solvent, a paint stripper, and for the removal of caffeine from coffee and tea.	2.9	4	chloromethanes; volatile organic compound	carcinogenic agent; polar aprotic solvent; refrigerant
methylene iodide methylene iodide: RN given refers to parent cpd	2.25	1
bromodichloromethane bromodichloromethane: RN given refers to parent cpd. bromodichloromethane : A halomethane that is dichloromethane in which oneof the hydrogens has been replaced by a bromine atom. It occurs as a contaminant in drinking water.	1.98	1	halomethane	environmental contaminant; reagent
1,1-dichloroethane [no description available]	1.98	1	organochlorine compound
vinylidene chloride vinylidene chloride: potent hepatotoxin. 1,1-dichloroethene : A member of the class of chloroethenes that is ethene in which both of the hydrogens attached to one of the carbons are replaced by chlorines.	1.98	1	chloroethenes	carcinogenic agent; mouse metabolite; mutagen
bromotrichloromethane Bromotrichloromethane: A potent liver poison. In rats, bromotrichloromethane produces about three times the degree of liver microsomal lipid peroxidation as does carbon tetrachloride.	1.98	1
trichlorofluoromethane trichlorofluoromethane: refrigerant, aerosol propellant; RN given refers to parent cpd; structure. trichlorofluoromethane : A one-carbon compound that is methane in which the hydrogens have been replaced by three chlorine and one fluorine atom.	1.98	1	chlorofluorocarbon; halomethane	environmental contaminant; NMR chemical shift reference compound; NMR solvent; refrigerant
pentachloroethane [no description available]	1.98	1	chloroethanes	non-polar solvent
propylene dichloride propylene dichloride: Russian drug; structure. 1,2-dichloropropane : A chloroalkane that is propane in which a hydrogen from each of two adjacent carbons has been replaced by chlorines.	2.67	3	chloroalkane; volatile organic compound
2,3-dichloro-1-propene 2,3-dichloro-1-propene: soil fumigant	1.98	1
1,1,2-trichloroethane 1,1,2-trichloroethane: RN given refers to cpd with locants as specified. 1,1,2-trichloroethane : A member of the class of chloroethanes that is ethane substituted by chloro groups at positions 1, 1 and 2.	1.98	1	chloroethanes
trichloroethylene Trichloroethylene: A highly volatile inhalation anesthetic used mainly in short surgical procedures where light anesthesia with good analgesia is required. It is also used as an industrial solvent. Prolonged exposure to high concentrations of the vapor can lead to cardiotoxicity and neurological impairment.. triol : A chemical compound containing three hydroxy groups.	1.98	1	chloroethenes	inhalation anaesthetic; mouse metabolite
1,1,2,2-tetrachloroethane 1,1,2,2-tetrachloroethane: see also record for tetrachloroethane. 1,1,2,2-tetrachloroethane : A member of the class of chloroethanes that is ethane substituted by chloro groups at positions 1, 1, 2 and 2.	1.98	1	chloroethanes
2-dichlorobenzene 2-dichlorobenzene: structure. 1,2-dichlorobenzene : A dichlorobenzene carrying chloro substituents at positions 1 and 2.	6.99	1	dichlorobenzene	hepatotoxic agent; metabolite
1,2,3-trichloropropane [no description available]	2.39	2	organochlorine compound
alpha-chlorohydrin alpha-Chlorohydrin: A chlorinated PROPANEDIOL with antifertility activity in males used as a chemosterilant in rodents.. 3-chloropropane-1,2-diol : A chloropropane-1,2-diol that is propane-1,2-diol substituted by a chloro group at position 3.	2.54	2	chloropropane-1,2-diol
styrene Styrene: A colorless, toxic liquid with a strong aromatic odor. It is used to make rubbers, polymers and copolymers, and polystyrene plastics.. styrene : A vinylarene that is benzene carrying a vinyl group. It has been isolated from the benzoin resin produced by Styrax species.	1.99	1	styrenes; vinylarene; volatile organic compound	mouse metabolite; mutagen; plant metabolite
ethylene dibromide Ethylene Dibromide: An effective soil fumigant, insecticide, and nematocide. In humans, it causes severe burning of skin and irritation of the eyes and respiratory tract. Prolonged inhalation may cause liver necrosis. It is also used in gasoline. Members of this group have caused liver and lung cancers in rodents. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), 1,2-dibromoethane may reasonably be anticipated to be a carcinogen.. 1,2-dibromoethane : A bromoalkane that is ethane carrying bromo substituents at positions 1 and 2. It is produced by marine algae.	1.97	1	bromoalkane; bromohydrocarbon	algal metabolite; carcinogenic agent; fumigant; marine metabolite; mouse metabolite; mutagen
1-bromo-2-chloroethane 1-bromo-2-chloroethane : A haloalkane that is bromoethane substituted by chlorine at position 2.	1.98	1	haloalkane; organobromine compound; organochlorine compound	mutagen
butyl bromide [no description available]	1.98	1
butyl chloride butyl chloride: structure	2.4	2
triethylamine [no description available]	2	1	tertiary amine
thiazolidines Thiazolidines: Reduced (protonated) form of THIAZOLES. They can be oxidized to THIAZOLIDINEDIONES.	2.25	1	thiazolidine
mustard gas Mustard Gas: Severe irritant and vesicant of skin, eyes, and lungs. It may cause blindness and lethal lung edema and was formerly used as a war gas. The substance has been proposed as a cytostatic and for treatment of psoriasis. It has been listed as a known carcinogen in the Fourth Annual Report on Carcinogens (NTP-85-002, 1985) (Merck, 11th ed).. bis(2-chloroethyl) sulfide : An ethyl sulfide that is diethyl sulfide in which a hydrogen from each of the terminal methyl groups is replaced by a chlorine. It is a powerful vesicant regulated under the Chemical Weapons Convention.	1.98	1	ethyl sulfide; organochlorine compound	alkylating agent; carcinogenic agent; vesicant
1-chloro-2-methylpropene [no description available]	1.98	1	organochlorine compound
1,3-dichloroacetone 1,3-dichloroacetone : A ketone that is propan-2-one in which a hydrogen at positions 1 and 3 have been replaced by chloro groups. It is used in the synthesis of citric acid. Also used as a solvent and as an intermediate in organic synthesis.	1.98	1	ketone; organochlorine compound
1-chlorohexane [no description available]	1.98	1
3-chloro-2-methylprop-1-ene [no description available]	1.98	1	organochlorine compound
2,2-dichloropropane 2,2-dichloropropane: a water pollutant	7.4	2
1,1,1,2-tetrachloroethane 1,1,1,2-tetrachloroethane: see also record for tetrachloroethane	1.98	1	chloroethanes
2-chloroethyl ethyl sulfide [no description available]	1.98	1
hexamethylsilazane hexamethylsilazane: RN given refers to parent cpd	2.13	1	N-silyl compound	chromatographic reagent
manganese Manganese: A trace element with atomic symbol Mn, atomic number 25, and atomic weight 54.94. It is concentrated in cell mitochondria, mostly in the pituitary gland, liver, pancreas, kidney, and bone, influences the synthesis of mucopolysaccharides, stimulates hepatic synthesis of cholesterol and fatty acids, and is a cofactor in many enzymes, including arginase and alkaline phosphatase in the liver. (From AMA Drug Evaluations Annual 1992, p2035). manganese(4+) : A manganese cation that is monoatomic and has a formal charge of +4.	1.98	1	elemental manganese; manganese group element atom	Escherichia coli metabolite; micronutrient
1,3-dichloro-1-propene 1,3-dichloro-1-propene: soil fumigant; RN given refers to cpd without isomeric designation; structure. 1,3-dichloropropene : A chloropropene with two chloro substituents at positions 1 and 3 respectively..	1.97	1
chlorodibromomethane [no description available]	1.98	1	organochlorine compound
tetrachloroethylene Tetrachloroethylene: A chlorinated hydrocarbon used as an industrial solvent and cooling liquid in electrical transformers. It is a potential carcinogen.	1.98	1	chlorocarbon; chloroethenes	nephrotoxic agent
trimethylsilyl trifluoromethanesulfonate trimethylsilyl trifluoromethanesulfonate: deprotecting cpd for peptides	7.13	1
thiouracil Thiouracil: Occurs in seeds of Brassica and Crucifera species. Thiouracil has been used as antithyroid, coronary vasodilator, and in congestive heart failure although its use has been largely supplanted by other drugs. It is known to cause blood dyscrasias and suspected of terato- and carcinogenesis.. thiouracil : A nucleobase analogue that is uracil in which the oxo group at C-2 is replaced by a thioxo group.	1.99	1	nucleobase analogue; thiocarbonyl compound	antithyroid drug; metabolite
nadp [no description available]	2.4	2
isoselenocyanic acid [no description available]	2.25	1	hydracid; one-carbon compound

Condition	Relationship Strength	Studies
Aneuploid [description not available]	1.98	1
Abnormalities, Autosome [description not available]	1.99	1
Chromosomes, Ring [description not available]	1.97	1

1,3-dichloropropane

Description

Cross-References

Synonyms (54)

Research Excerpts

Dosage Studied

Roles (2)

Drug Classes (2)

Protein Targets (8)

Potency Measurements

Bioassays (2)

Research

Studies (16)

Market Indicators

Research Demand Index: 47.79

Study Types