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Home Nitriles 2-Chlorobenzonitrile

2-Chlorobenzonitrile

CAS No.:
873-32-5
Catalog Number:
AG003H1S
Molecular Formula:
C7H4ClN
Molecular Weight:
137.5664
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG003H1S
Chemical Name:
2-Chlorobenzonitrile
CAS Number:
873-32-5
Molecular Formula:
C7H4ClN
Molecular Weight:
137.5664
MDL Number:
MFCD00001779
IUPAC Name:
2-chlorobenzonitrile
InChI:
InChI=1S/C7H4ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H
InChI Key:
NHWQMJMIYICNBP-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1Cl
EC Number:
212-836-5
NSC Number:
8438
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.003g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.566g/mol
Monoisotopic Mass:
137.003g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV and NBO analysis of 2-chlorobenzonitrile by density functional method. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110201
2-(3-Chloro-phen-yl)-4,5-dihydro-1H-imidazole. Acta crystallographica. Section E, Structure reports online 20090201
Characterisation of the substrate specificity of the nitrile hydrolyzing system of the acidotolerant black yeast Exophiala oligosperma R1. Studies in mycology 20080101
o-Chloro- and o-bromobenzonitrile: pseudosymmetry and pseudo-isostructural packing. Acta crystallographica. Section C, Crystal structure communications 20070101
A convenient catalyst system for microwave accelerated cross-coupling of a range of aryl boronic acids with aryl chlorides. Beilstein journal of organic chemistry 20070101
Properties