Home Nitriles M-Tolunitrile

M-Tolunitrile

CAS No.:
620-22-4
Catalog Number:
AG00IAYF
Molecular Formula:
C8H7N
Molecular Weight:
117.1479
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$50
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG00IAYF
Chemical Name:
M-Tolunitrile
CAS Number:
620-22-4
Molecular Formula:
C8H7N
Molecular Weight:
117.1479
MDL Number:
MFCD00001808
IUPAC Name:
3-methylbenzonitrile
InChI:
InChI=1S/C8H7N/c1-7-3-2-4-8(5-7)6-9/h2-5H,1H3
InChI Key:
BOHCMQZJWOGWTA-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C
EC Number:
210-631-5
UNII:
AH2J4VY1AK
NSC Number:
75453
Properties
Complexity:
131  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.058g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
117.151g/mol
Monoisotopic Mass:
117.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
An improved nitrilase-mediated bioprocess for synthesis of nicotinic acid from 3-cyanopyridine with hyperinduced Nocardia globerula NHB-2. Journal of industrial microbiology & biotechnology 20110901
Internal rotation of methyl group in electronically excited o- and m-ethynyltoluene: new correlation between the Hammett substituent constant σm and rotational barrier change. The Journal of chemical physics 20110227
Electron predators are hydrogen atom traps. Effects of aryl groups on N-C(α) bond dissociations of peptide radicals. Journal of mass spectrometry : JMS 20101101
Formation of fullerooxazoles from C61HPh(3-): the regioselectivity of heteroatom additions. The Journal of organic chemistry 20091106
3-Methyl-thio-benzamide. Acta crystallographica. Section E, Structure reports online 20090601
An amino acid at position 142 in nitrilase from Rhodococcus rhodochrous ATCC 33278 determines the substrate specificity for aliphatic and aromatic nitriles. The Biochemical journal 20081101
Characterisation of the substrate specificity of the nitrile hydrolyzing system of the acidotolerant black yeast Exophiala oligosperma R1. Studies in mycology 20080101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Absolute orientation of molecules at interfaces. The journal of physical chemistry. B 20060202
Properties