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Home Nitriles 2-(Cyanomethyl)benzonitrile

2-(Cyanomethyl)benzonitrile

CAS No.:
3759-28-2
Catalog Number:
AG003H4G
Molecular Formula:
C9H6N2
Molecular Weight:
142.1573
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
99%
1 week
United States
$59
- +
5g
99%
1 week
United States
$66
- +
25g
99%
1 week
United States
$100
- +
100g
99%
1 week
United States
$219
- +
Product Description
Catalog Number:
AG003H4G
Chemical Name:
2-(Cyanomethyl)benzonitrile
CAS Number:
3759-28-2
Molecular Formula:
C9H6N2
Molecular Weight:
142.1573
MDL Number:
MFCD00001895
IUPAC Name:
2-(cyanomethyl)benzonitrile
InChI:
InChI=1S/C9H6N2/c10-6-5-8-3-1-2-4-9(8)7-11/h1-4H,5H2
InChI Key:
GKHSEDFDYXZGCG-UHFFFAOYSA-N
SMILES:
N#CCc1ccccc1C#N
EC Number:
223-167-3
NSC Number:
340237
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.053g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.161g/mol
Monoisotopic Mass:
142.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Modular synthesis of oxazolines and their derivatives. Journal of combinatorial chemistry 20090309
Interconversion of nitrenes, azirenes, and diradicals: rearrangement of 3-isoquinolylnitrene to o-cyanophenylketenimine and 1-cyanoisoindole. The Journal of organic chemistry 20090206
2-Quinolyl- and 1-isoquinolylnitrenes: ring expansion and ring opening in heteroarylnitrenes. The Journal of organic chemistry 20030221
Properties