Home Nitriles Bromoacetonitrile

Bromoacetonitrile

CAS No.:
590-17-0
Catalog Number:
AG0034KE
Molecular Formula:
C2H2BrN
Molecular Weight:
119.9480
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$19
- +
25g
95%
In Stock USA
United States
$63
- +
100g
98%(GC)
In Stock USA
United States
$160
- +
500g
98%(GC)
In Stock USA
United States
$666
- +
Product Description
Catalog Number:
AG0034KE
Chemical Name:
Bromoacetonitrile
CAS Number:
590-17-0
Molecular Formula:
C2H2BrN
Molecular Weight:
119.9480
MDL Number:
MFCD00001884
IUPAC Name:
2-bromoacetonitrile
InChI:
InChI=1S/C2H2BrN/c3-1-2-4/h1H2
InChI Key:
REXUYBKPWIPONM-UHFFFAOYSA-N
SMILES:
BrCC#N
EC Number:
209-672-1
UNII:
07K08J16VK
UN Number:
3276
Properties
Complexity:
41.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.937g/mol
Formal Charge:
0
Heavy Atom Count:
4  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
119.949g/mol
Monoisotopic Mass:
118.937g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Synthesis, characterization, and energetic properties of salts of the 1-cyanomethyl-1,1-dimethylhydrazinium cation. Chemistry, an Asian journal 20120501
Poly[μ(2)-aqua-bis-[μ(4)-2-(1H-1,2,3-benzotriazol-1-yl)acetato]-dipotassium]. Acta crystallographica. Section E, Structure reports online 20120401
2-Methyl-6-(trifluoro-meth-yl)imidazo[1,2-a]pyridine-3-carbonitrile. Acta crystallographica. Section E, Structure reports online 20110301
1-Cyano-methyl-1,4-diazo-niabicyclo-[2.2.2]octane tetra-bromidocadmate(II). Acta crystallographica. Section E, Structure reports online 20101201
1-Cyano-meth-yl-1,4-diazo-niabicyclo-[2.2.2]octane tetra-bromidocuprate(II). Acta crystallographica. Section E, Structure reports online 20100701
1-Cyano-methyl-4-aza-1-azonia-bicyclo-[2.2.2]octane bromide dihydrate. Acta crystallographica. Section E, Structure reports online 20100701
1-Cyano-methyl-4-aza-1-azoniabicyclo-[2.2.2]octane tetra-fluoro-borate monohydrate. Acta crystallographica. Section E, Structure reports online 20100601
Selective synthesis of 1-functionalized-alkyl-1H-indazoles. Organic letters 20091105
Dimethyl 1-cyano-methyl-1H-pyrazole-3,5-dicarboxyl-ate. Acta crystallographica. Section E, Structure reports online 20090701
Poly[(μ(2)-azido-κN:N)[μ(2)-5-(8-quinolyl-oxy-methyl)tetra-zolato-κN,O,N:N]zinc(II)]. Acta crystallographica. Section E, Structure reports online 20090601
Ab initio evaluation of the thermodynamic and electrochemical properties of alkyl halides and radicals and their mechanistic implications for atom transfer radical polymerization. Journal of the American Chemical Society 20080924
Bis[2-(1H-benzotriazol-1-yl)acetonitrile-κN]dibromidocopper(II). Acta crystallographica. Section E, Structure reports online 20080801
Bis[2-(1H-1,2,3-benzotriazol-1-yl)acetic acid-κN]dichloridozinc(II). Acta crystallographica. Section E, Structure reports online 20080601
An efficient synthesis of gamma-amino acids and attempts to drive its enantioselectivity. Molecules (Basel, Switzerland) 20080327
1,3,5-Tris(2H-tetra-zol-5-ylmeth-oxy)-benzene. Acta crystallographica. Section E, Structure reports online 20080101
Haloacetonitriles vs. regulated haloacetic acids: are nitrogen-containing DBPs more toxic? Environmental science & technology 20070115
Occupational allergic contact dermatitis in a chemist from ethyl bromoacetate and bromoacetonitrile. Contact dermatitis 20050201
First synthesis and structure of beta-ketoimine calix[4]arenes: complexation and extraction studies. The Journal of organic chemistry 20041001
Monoalkylation of C60 and C70 with Zn and active alkyl bromides. The Journal of organic chemistry 20030418
Unexpected formation of a spiro acridine and fused ring system from the reaction between an N-acridinylmethyl-substituted thiourea and bromoacetonitrile under basic conditions. The Journal of organic chemistry 20010615
Properties