benzotrichloride: structure [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
(trichloromethyl)benzene : An organochlorine compound that is toluene in which all three hydrogens of the methyl group have been replaced by chlorines. It is used as an intermediate in organic synthesis and dye chemistry. [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 | 7367 |
| CHEMBL ID | 1347516 |
| CHEBI ID | 82274 |
| SCHEMBL ID | 522316 |
| MeSH ID | M0070819 |
| Synonym |
|---|
| LS-13253 |
| benzene, trichloromethyl- |
| toluene, .alpha.,.alpha.,.alpha.-trichloro- |
| trichlorophenylmethane |
| toluene,.alpha.,.alpha.,-trichloro- |
| benzylidyne chloride |
| phenylchloroform |
| toluene,.alpha.,.alpha.-trichloro- |
| wln: gxggr |
| 1-(trichloromethyl)benzene |
| trichlormethylbenzol |
| nsc14663 |
| toluene trichloride |
| triclorotoluene |
| benzotrichloride |
| chlorure de benzenyle |
| benzyl trichloride |
| (trichloromethyl)benzene |
| benzene, (trichloromethyl)- |
| benzenyl chloride |
| .alpha.,.alpha.-trichlorotoluene |
| phenyltrichloromethane |
| trichloormethylbenzeen |
| benzenyl trichloride |
| trichloromethylbenzene |
| nsc-14663 |
| .omega.,.omega.-trichlorotoluene |
| triclorometilbenzene |
| 98-07-7 |
| NCGC00090931-02 |
| NCGC00090931-01 |
| trichloormethylbenzeen [dutch] |
| brn 0508152 |
| toluene, alpha,alpha,alpha-trichloro- |
| nsc 14663 |
| ccris 1292 |
| triclorotoluene [italian] |
| benzotricloruro [spanish] |
| triclorometilbenzene [italian] |
| un2226 |
| trichlormethylbenzol [german] |
| chlorure de benzenyle [french] |
| benzoic trichloride |
| phenyl chloroform |
| rcra waste no. u023 |
| einecs 202-634-5 |
| alpha,alpha,alpha-trichlorotoluene |
| hsdb 2076 |
| chlorure de benzylidyne [french] |
| rcra waste number u023 |
| ai3-02583 |
| toluene, alpha,alpha,alpha,-trichloro- |
| inchi=1/c7h5cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5 |
| alpha,alpha,alpha-trichlorotoluene, analytical standard |
| alpha,alpha,alpha-trichlorotoluene, 98% |
| MLS001055387 |
| smr000677940 |
| T0399 |
| AKOS000120182 |
| A845800 |
| NCGC00090931-03 |
| NCGC00090931-04 |
| C19166 |
| HMS3039D05 |
| NCGC00254133-01 |
| tox21_201290 |
| NCGC00258842-01 |
| dtxcid30148 |
| dtxsid1020148 , |
| cas-98-07-7 |
| tox21_300181 |
| methyltrichlorobenzene |
| einecs 250-252-2 |
| STL280431 |
| ec 202-634-5 |
| u62vhg99am , |
| chlorure de benzylidyne |
| unii-u62vhg99am |
| benzotrichloride [un2226] [corrosive] |
| benzotricloruro |
| 4-05-00-00820 (beilstein handbook reference) |
| FT-0622736 |
| benzotrichloride [mi] |
| benzotrichloride [hsdb] |
| SCHEMBL522316 |
| CHEBI:82274 , |
| a,a,a-trichlorotoluene |
| trichloromethyl benzene |
| alpha, alpha,alpha-trichlorotoluene |
| CHEMBL1347516 |
| .alpha.,.alpha.,.alpha.-trichlorotoluene |
| .omega.,.omega.,.omega.-trichlorotoluene |
| .alpha.,.alpha.,.alpha.-trichloromethylbenzene |
| un 2226 |
| alpha, alpha, alpha-trichlorotoluene |
| mfcd00000786 |
| alpha,alpha,alpha-trichlorotoluene, purum, >=97.0% (gc) |
| EN300-19413 |
| benzotrichlorid |
| Q426111 |
| alpha,alpha,alpha-trichlorotoluene 100 microg/ml in acetonitrile |
| ?,?,?-trichlorotoluene |
| alpha , alpha , alpha -trichlorotoluene |
| Role | Description |
|---|---|
| carcinogenic agent | A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities. |
| [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 |
|---|---|
| benzenes | Any benzenoid aromatic compound consisting of the benzene skeleton and its substituted derivatives. |
| volatile organic compound | Any organic compound having an initial boiling point less than or equal to 250 degreeC (482 degreeF) measured at a standard atmospheric pressure of 101.3 kPa. |
| organochlorine compound | An organochlorine compound is a compound containing at least one carbon-chlorine bond. |
| [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 | 35.4813 | 0.0032 | 45.4673 | 12,589.2998 | AID2517 |
| thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 12.5893 | 0.0013 | 18.0743 | 39.8107 | AID926; AID938 |
| retinoic acid nuclear receptor alpha variant 1 | Homo sapiens (human) | Potency | 77.0371 | 0.0030 | 41.6115 | 22,387.1992 | AID1159552 |
| retinoid X nuclear receptor alpha | Homo sapiens (human) | Potency | 12.3163 | 0.0008 | 17.5051 | 59.3239 | AID1159527 |
| estrogen-related nuclear receptor alpha | Homo sapiens (human) | Potency | 1.2210 | 0.0015 | 30.6073 | 15,848.9004 | AID1224841 |
| estrogen nuclear receptor alpha | Homo sapiens (human) | Potency | 1.1283 | 0.0002 | 29.3054 | 16,493.5996 | AID743075 |
| peroxisome proliferator activated receptor gamma | Homo sapiens (human) | Potency | 50.1187 | 0.0010 | 19.4141 | 70.9645 | AID588537 |
| aryl hydrocarbon receptor | Homo sapiens (human) | Potency | 69.9313 | 0.0007 | 23.0674 | 1,258.9301 | AID743085; AID743122 |
| thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 6.4819 | 0.0016 | 28.0151 | 77.1139 | AID1224895 |
| chromobox protein homolog 1 | Homo sapiens (human) | Potency | 89.1251 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
| nuclear factor erythroid 2-related factor 2 isoform 1 | Homo sapiens (human) | Potency | 74.9780 | 0.0006 | 27.2152 | 1,122.0200 | AID651741 |
| geminin | Homo sapiens (human) | Potency | 0.0065 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
| lethal factor (plasmid) | Bacillus anthracis str. A2012 | Potency | 0.1585 | 0.0200 | 10.7869 | 31.6228 | AID912 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID504812 | Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
| AID504810 | Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
| AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
| AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 13 (48.15) | 18.7374 |
| 1990's | 3 (11.11) | 18.2507 |
| 2000's | 4 (14.81) | 29.6817 |
| 2010's | 6 (22.22) | 24.3611 |
| 2020's | 1 (3.70) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be very strong demand-to-supply ratio for research on this compound.
| This Compound (62.41) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 1 (3.57%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 27 (96.43%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||