3-Cyanobenzylzinc bromide solution
Product Information
Molecular Formula
NCC6H4CH2ZnBr
Molecular Weight
261.45
Description
3-Cyanobenzylzinc bromide solution expertly aids in the synthesis of diverse drugs and pharmaceutical intermediates. It is used in the synthesis of drugs to treat cancer, inflammation and infectious diseases.
Synonyms
zinc; 3-methanidylbenzonitrile; bromide; Zinc,bromo[(3-cyanophenyl)methyl]-; 117269-72-4; ACMC-20mn3i
IUPAC Name
bromozinc(1+)3-methanidylbenzonitrile
SMILES
[CH2-]C1=CC=CC(=C1)C#N.[Zn+2].[Br-]
InChI
InChI=1S/C8H6N.BrH.Zn/c1-7-3-2-4-8(5-7)6-9;;/h2-5H,1H2;1H;/q-1;;+2/p-1
InChI Key
DOAJWWPVOOHMFV-UHFFFAOYSA-M
Flash Point
1.4 °F - closed cup
Purity
95%
Density
0.966g/mLat25°C
Appearance
Light to Dark Brown Liquid
Storage
2-8°C
Safety Information
Hazards
H225 - H261 - H302 - H319 - H335 - H336 - H351
Precautionary Statement
P201 - P210 - P231 + P232 - P301 + P312 - P305 + P351 + P338 - P308 + P313
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
258.89750 g/mol
Monoisotopic Mass
258.89750 g/mol
Topological Polar Surface Area
23.8Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
140
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes
