Home Other Building Blocks 3-Chlorotoluene

3-Chlorotoluene

CAS No.:
108-41-8
Catalog Number:
AG0033OO
Molecular Formula:
C7H7Cl
Molecular Weight:
126.5835
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$32
- +
100g
95%
In Stock USA
United States
$94
- +
500g
98%(GC)
In Stock USA
United States
$223
- +
Product Description
Catalog Number:
AG0033OO
Chemical Name:
3-Chlorotoluene
CAS Number:
108-41-8
Molecular Formula:
C7H7Cl
Molecular Weight:
126.5835
MDL Number:
MFCD00000595
IUPAC Name:
1-chloro-3-methylbenzene
InChI:
InChI=1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChI Key:
OSOUNOBYRMOXQQ-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)Cl
EC Number:
203-580-5
UNII:
5K8172K9TT
NSC Number:
8767
UN Number:
2238
Properties
Complexity:
70.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.024g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.583g/mol
Monoisotopic Mass:
126.024g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
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N-(4-Chloro-2-methyl-phen-yl)maleamic acid. Acta crystallographica. Section E, Structure reports online 20111201
Synthesis and biological evaluation of 1,9-disubstituted β-carbolines as potent DNA intercalating and cytotoxic agents. European journal of medicinal chemistry 20111001
Metal-organic framework MIL-101(Cr) for high-performance liquid chromatographic separation of substituted aromatics. Analytical chemistry 20110915
Molecular structure and vibrational spectra of o-chlorotoluene, m-chlorotoluene, and p-chlorotoluene by ab initio HF and DFT calculations. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110301
Allosteric interactions between the myristate- and ATP-site of the Abl kinase. PloS one 20110101
3,5-Bis(4-fluoro-phen-yl)-1-phenyl-4,5-dihydro-1H-pyrazole. Acta crystallographica. Section E, Structure reports online 20100801
Enhancement of hydrophobic interactions and hydrogen bond strength by cooperativity: synthesis, modeling, and molecular dynamics simulations of a congeneric series of thrombin inhibitors. Journal of medicinal chemistry 20100311
Characterization of dasatinib and its structural analogs as CYP3A4 mechanism-based inactivators and the proposed bioactivation pathways. Drug metabolism and disposition: the biological fate of chemicals 20090601
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3-(3-Chloro-benz-yl)-1H-isochromen-1-one. Acta crystallographica. Section E, Structure reports online 20081001
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. Bioorganic & medicinal chemistry 20070715
Genotoxicity of 2-(3-chlorobenzyloxy)-6-(piperazinyl)pyrazine, a novel 5-hydroxytryptamine2c receptor agonist for the treatment of obesity: role of metabolic activation. Drug metabolism and disposition: the biological fate of chemicals 20070601
Synthesis and antitubercular activity of quaternized promazine and promethazine derivatives. Bioorganic & medicinal chemistry letters 20070301
Chloromethylmuconolactones as critical metabolites in the degradation of chloromethylcatechols: recalcitrance of 2-chlorotoluene. Journal of bacteriology 20050401
2-Substituted adenosine derivatives: affinity and efficacy at four subtypes of human adenosine receptors. Biochemical pharmacology 20041115
(Z)-7-Chloro-3-[(3-chlorophenyl)-methylidene]-4-p-tosyl-3,4-dihydro-2H-1,4-benzoxazine. Acta crystallographica. Section C, Crystal structure communications 20010601
Properties