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620-22-4,MFCD00001808
Catalog No.:AA00IAVN

620-22-4 | M-Tolunitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%(GC)
in stock  
$24.00   $17.00
- +
10g
98%
in stock  
$33.00   $23.00
- +
25g
98%(GC)
in stock  
$39.00   $27.00
- +
100g
98%
in stock  
$69.00   $48.00
- +
500g
98%
in stock  
$215.00   $150.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00IAVN
Chemical Name:
M-Tolunitrile
CAS Number:
620-22-4
Molecular Formula:
C8H7N
Molecular Weight:
117.1479
MDL Number:
MFCD00001808
SMILES:
N#Cc1cccc(c1)C
NSC Number:
75453
Properties
Properties
 
BP:
213.0°C  
Form:
Liquid  
MP:
−23 °C(lit.)  
Refractive Index:
n20/D 1.525(lit.)  

Computed Properties
 
Complexity:
131  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.4  

Literature

Title: An improved nitrilase-mediated bioprocess for synthesis of nicotinic acid from 3-cyanopyridine with hyperinduced Nocardia globerula NHB-2.

Journal: Journal of industrial microbiology & biotechnology 20110901

Title: Internal rotation of methyl group in electronically excited o- and m-ethynyltoluene: new correlation between the Hammett substituent constant σm and rotational barrier change.

Journal: The Journal of chemical physics 20110227

Title: Electron predators are hydrogen atom traps. Effects of aryl groups on N-C(α) bond dissociations of peptide radicals.

Journal: Journal of mass spectrometry : JMS 20101101

Title: Formation of fullerooxazoles from C61HPh(3-): the regioselectivity of heteroatom additions.

Journal: The Journal of organic chemistry 20091106

Title: 3-Methyl-thio-benzamide.

Journal: Acta crystallographica. Section E, Structure reports online 20090601

Title: An amino acid at position 142 in nitrilase from Rhodococcus rhodochrous ATCC 33278 determines the substrate specificity for aliphatic and aromatic nitriles.

Journal: The Biochemical journal 20081101

Title: Characterisation of the substrate specificity of the nitrile hydrolyzing system of the acidotolerant black yeast Exophiala oligosperma R1.

Journal: Studies in mycology 20080101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Absolute orientation of molecules at interfaces.

Journal: The journal of physical chemistry. B 20060202

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SDS
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Tags:620-22-4 Molecular Formula|620-22-4 MDL|620-22-4 SMILES|620-22-4 M-Tolunitrile
Catalog No.: AA00IAVN
620-22-4,MFCD00001808
620-22-4 | M-Tolunitrile
Pack Size： 5g
Purity： 98%(GC)
in stock
$24.00 $17.00
Pack Size： 10g
Purity： 98%
in stock
$33.00 $23.00
Pack Size： 25g
Purity： 98%(GC)
in stock
$39.00 $27.00
Pack Size： 100g
Purity： 98%
in stock
$69.00 $48.00
Pack Size： 500g
Purity： 98%
in stock
$215.00 $150.00
Quantity
- +
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Technical Information
Catalog Number: AA00IAVN
Chemical Name: M-Tolunitrile
CAS Number: 620-22-4
Molecular Formula: C8H7N
Molecular Weight: 117.1479
MDL Number: MFCD00001808
SMILES: N#Cc1cccc(c1)C
NSC Number: 75453
Properties
BP: 213.0°C  
Form: Liquid  
MP: −23 °C(lit.)  
Refractive Index: n20/D 1.525(lit.)  
Complexity: 131  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 9  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.4  
Literature fold

Title: An improved nitrilase-mediated bioprocess for synthesis of nicotinic acid from 3-cyanopyridine with hyperinduced Nocardia globerula NHB-2.

Journal: Journal of industrial microbiology & biotechnology20110901

Title: Internal rotation of methyl group in electronically excited o- and m-ethynyltoluene: new correlation between the Hammett substituent constant σm and rotational barrier change.

Journal: The Journal of chemical physics20110227

Title: Electron predators are hydrogen atom traps. Effects of aryl groups on N-C(α) bond dissociations of peptide radicals.

Journal: Journal of mass spectrometry : JMS20101101

Title: Formation of fullerooxazoles from C61HPh(3-): the regioselectivity of heteroatom additions.

Journal: The Journal of organic chemistry20091106

Title: 3-Methyl-thio-benzamide.

Journal: Acta crystallographica. Section E, Structure reports online20090601

Title: An amino acid at position 142 in nitrilase from Rhodococcus rhodochrous ATCC 33278 determines the substrate specificity for aliphatic and aromatic nitriles.

Journal: The Biochemical journal20081101

Title: Characterisation of the substrate specificity of the nitrile hydrolyzing system of the acidotolerant black yeast Exophiala oligosperma R1.

Journal: Studies in mycology20080101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology20060501

Title: Absolute orientation of molecules at interfaces.

Journal: The journal of physical chemistry. B20060202

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