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108-41-8,MFCD00000595
Catalog No.:AA0033LW

108-41-8 | 3-Chlorotoluene

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25g
98%(GC)
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$23.00   $16.00
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500g
>99.0%(GC)
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0033LW
Chemical Name:
3-Chlorotoluene
CAS Number:
108-41-8
Molecular Formula:
C7H7Cl
Molecular Weight:
126.5835
MDL Number:
MFCD00000595
SMILES:
Cc1cccc(c1)Cl
NSC Number:
8767
UN Number:
2238
Properties
Properties
 
BP:
161.8°C  
Form:
Solid  
MP:
-48 °C  
Refractive Index:
n20/D 1.522(lit.)  
Solubility:
0.04g/l  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
70.8  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
8  
XLogP3:
3.3  

Literature

Title: Structural and spectroscopic analysis of the kinase inhibitor bosutinib and an isomer of bosutinib binding to the Abl tyrosine kinase domain.

Journal: PloS one 20120101

Title: N-(4-Chloro-2-methyl-phen-yl)maleamic acid.

Journal: Acta crystallographica. Section E, Structure reports online 20111201

Title: Synthesis and biological evaluation of 1,9-disubstituted β-carbolines as potent DNA intercalating and cytotoxic agents.

Journal: European journal of medicinal chemistry 20111001

Title: Metal-organic framework MIL-101(Cr) for high-performance liquid chromatographic separation of substituted aromatics.

Journal: Analytical chemistry 20110915

Title: Molecular structure and vibrational spectra of o-chlorotoluene, m-chlorotoluene, and p-chlorotoluene by ab initio HF and DFT calculations.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110301

Title: Allosteric interactions between the myristate- and ATP-site of the Abl kinase.

Journal: PloS one 20110101

Title: 3,5-Bis(4-fluoro-phen-yl)-1-phenyl-4,5-dihydro-1H-pyrazole.

Journal: Acta crystallographica. Section E, Structure reports online 20100801

Title: Enhancement of hydrophobic interactions and hydrogen bond strength by cooperativity: synthesis, modeling, and molecular dynamics simulations of a congeneric series of thrombin inhibitors.

Journal: Journal of medicinal chemistry 20100311

Title: Characterization of dasatinib and its structural analogs as CYP3A4 mechanism-based inactivators and the proposed bioactivation pathways.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20090601

Title: Targeted treatment of imatinib-resistant chronic myeloid leukemia: Focus on dasatinib.

Journal: OncoTargets and therapy 20090101

Title: 1-(3-Chloro-benz-yl)-5-iodo-indoline-2,3-dione.

Journal: Acta crystallographica. Section E, Structure reports online 20081101

Title: 3-(3-Chloro-benz-yl)-1H-isochromen-1-one.

Journal: Acta crystallographica. Section E, Structure reports online 20081001

Title: 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.

Journal: Bioorganic & medicinal chemistry 20070715

Title: Genotoxicity of 2-(3-chlorobenzyloxy)-6-(piperazinyl)pyrazine, a novel 5-hydroxytryptamine2c receptor agonist for the treatment of obesity: role of metabolic activation.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20070601

Title: Synthesis and antitubercular activity of quaternized promazine and promethazine derivatives.

Journal: Bioorganic & medicinal chemistry letters 20070301

Title: Chloromethylmuconolactones as critical metabolites in the degradation of chloromethylcatechols: recalcitrance of 2-chlorotoluene.

Journal: Journal of bacteriology 20050401

Title: 2-Substituted adenosine derivatives: affinity and efficacy at four subtypes of human adenosine receptors.

Journal: Biochemical pharmacology 20041115

Title: (Z)-7-Chloro-3-[(3-chlorophenyl)-methylidene]-4-p-tosyl-3,4-dihydro-2H-1,4-benzoxazine.

Journal: Acta crystallographica. Section C, Crystal structure communications 20010601

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