Home Nitriles 2-Chloroacrylonitrile

2-Chloroacrylonitrile

CAS No.:
920-37-6
Catalog Number:
AG003390
Molecular Formula:
C3H2ClN
Molecular Weight:
87.5077
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Product Description
Catalog Number:
AG003390
Chemical Name:
2-Chloroacrylonitrile
CAS Number:
920-37-6
Molecular Formula:
C3H2ClN
Molecular Weight:
87.5077
MDL Number:
MFCD00001858
IUPAC Name:
2-chloroprop-2-enenitrile
InChI:
InChI=1S/C3H2ClN/c1-3(4)2-5/h1H2
InChI Key:
OYUNTGBISCIYPW-UHFFFAOYSA-N
SMILES:
ClC(=C)C#N
EC Number:
213-055-2
UNII:
FFJ1QHD154
NSC Number:
511714
UN Number:
1993
Properties
Complexity:
86.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
86.988g/mol
Formal Charge:
0
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
87.506g/mol
Monoisotopic Mass:
86.988g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Evolution of structure and reactivity in a series of iconic carbenes. The Journal of organic chemistry 20120120
Asymmetric conjugate addition of oxindoles to 2-chloroacrylonitrile: a highly effective organocatalytic strategy for simultaneous construction of 1,3-nonadjacent stereocenters leading to chiral pyrroloindolines. Chemistry (Weinheim an der Bergstrasse, Germany) 20101227
The nucleophilic reactivity of fluoromethoxycarbene. Organic letters 20100806
Synthesis of the highly selective p38 MAPK inhibitor UR-13756 for possible therapeutic use in Werner syndrome. Future medicinal chemistry 20100201
Chiral 2-endo-substituted 9-oxabispidines: novel ligands for enantioselective copper(II)-catalyzed Henry reactions. Chemistry (Weinheim an der Bergstrasse, Germany) 20091123
Latent nucleophilicity of dichlorocarbene. Organic letters 20090507
Dual-function cinchona alkaloid catalysis: catalytic asymmetric tandem conjugate addition-protonation for the direct creation of nonadjacent stereocenters. Journal of the American Chemical Society 20060329
A short synthesis of 10-hydroxy 7-spirocyclopropanated camphor. The Journal of organic chemistry 20050930
Effects of aliphatic nitriles in micromass cultures of rat embryo limb bud cells. Toxicology in vitro : an international journal published in association with BIBRA 20040601
A novel bornane synthesis by an old idea. The Journal of organic chemistry 20020531
Properties