U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C7H7Cl
Molecular Weight 126.583
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of M-CHLOROTOLUENE

SMILES

CC1=CC=CC(Cl)=C1

InChI

InChIKey=OSOUNOBYRMOXQQ-UHFFFAOYSA-N
InChI=1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
(Z)-7-Chloro-3-[(3-chlorophenyl)-methylidene]-4-p-tosyl-3,4-dihydro-2H-1,4-benzoxazine.
2001 Jun
2-Substituted adenosine derivatives: affinity and efficacy at four subtypes of human adenosine receptors.
2004 Nov 15
N9-benzyl-substituted 1,3-dimethyl- and 1,3-dipropyl-pyrimido[2,1-f]purinediones: synthesis and structure-activity relationships at adenosine A1 and A2A receptors.
2007 Jul 15
Genotoxicity of 2-(3-chlorobenzyloxy)-6-(piperazinyl)pyrazine, a novel 5-hydroxytryptamine2c receptor agonist for the treatment of obesity: role of metabolic activation.
2007 Jun
Synthesis and antitubercular activity of quaternized promazine and promethazine derivatives.
2007 Mar 1
1-(3-Chloro-benz-yl)-5-iodo-indoline-2,3-dione.
2008 Oct 31
3-(3-Chloro-benz-yl)-1H-isochromen-1-one.
2008 Sep 27
Targeted treatment of imatinib-resistant chronic myeloid leukemia: Focus on dasatinib.
2009 Feb 18
Characterization of dasatinib and its structural analogs as CYP3A4 mechanism-based inactivators and the proposed bioactivation pathways.
2009 Jun
3,5-Bis(4-fluoro-phen-yl)-1-phenyl-4,5-dihydro-1H-pyrazole.
2010 Jul 7
Enhancement of hydrophobic interactions and hydrogen bond strength by cooperativity: synthesis, modeling, and molecular dynamics simulations of a congeneric series of thrombin inhibitors.
2010 Mar 11
Patents
Name Type Language
M-CHLOROTOLUENE
MI  
Systematic Name English
M-METHYLCHLOROBENZENE
Systematic Name English
1-METHYL-3-CHLOROBENZENE
Systematic Name English
3-METHYLCHLOROBENZENE
Systematic Name English
3-CHLOROTOLUENE
Systematic Name English
NSC-8767
Code English
3-METHYLPHENYL CHLORIDE
Systematic Name English
3-CHLORO-1-METHYLBENZENE
Systematic Name English
1-CHLORO-3-METHYLBENZENE
Systematic Name English
M-CHLOROTOLUENE [MI]
Common Name English
TOLUENE, M-CHLORO-
Systematic Name English
M-TOLYL CHLORIDE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID4052841
Created by admin on Sat Dec 16 04:18:44 GMT 2023 , Edited by admin on Sat Dec 16 04:18:44 GMT 2023
PRIMARY
ECHA (EC/EINECS)
203-580-5
Created by admin on Sat Dec 16 04:18:44 GMT 2023 , Edited by admin on Sat Dec 16 04:18:44 GMT 2023
PRIMARY
MERCK INDEX
m3445
Created by admin on Sat Dec 16 04:18:44 GMT 2023 , Edited by admin on Sat Dec 16 04:18:44 GMT 2023
PRIMARY Merck Index
PUBCHEM
7931
Created by admin on Sat Dec 16 04:18:44 GMT 2023 , Edited by admin on Sat Dec 16 04:18:44 GMT 2023
PRIMARY
CAS
108-41-8
Created by admin on Sat Dec 16 04:18:44 GMT 2023 , Edited by admin on Sat Dec 16 04:18:44 GMT 2023
PRIMARY
MESH
C499988
Created by admin on Sat Dec 16 04:18:44 GMT 2023 , Edited by admin on Sat Dec 16 04:18:44 GMT 2023
PRIMARY
FDA UNII
5K8172K9TT
Created by admin on Sat Dec 16 04:18:44 GMT 2023 , Edited by admin on Sat Dec 16 04:18:44 GMT 2023
PRIMARY
NSC
8767
Created by admin on Sat Dec 16 04:18:44 GMT 2023 , Edited by admin on Sat Dec 16 04:18:44 GMT 2023
PRIMARY