2-Cyanophenylzinc bromide solution
Product Information
Molecular Formula
NCC6H4ZnBr
Molecular Weight
247.41
Description
2-Cyanophenylzinc bromide solution is an indispensable tool in the pharmaceutical sector and serves as a pivotal adjunct amidst the realm of medicinal advancements. Within this arena, it finds its purpose by partaking in the conglomeration of diverse therapeutics, ranging from anti-inflammatory entities to analgesic agents.
Synonyms
2-CYANOPHENYLZINC BROMIDE; benzonitrile; bromozinc(1+); Zinc, bromo(2-cyanophenyl)-; 2-Cyanophenylzinc bromide 0.5 M in Tetrahydrofuran; Bromo-(2-cyanophenyl)zinc 0.5M in THF; 2-CYANOPHENYLZINCBROMIDE; (2-cyanophenyl)zinc(II) bromide; 2-Cyanophenylzinc bromide, 0.5M in THF
IUPAC Name
benzonitrilebromozinc(1+)
SMILES
C1=CC=C([C-]=C1)C#N.[Zn+]Br
InChI
InChI=1S/C7H4N.BrH.Zn/c8-6-7-4-2-1-3-5-7/h1-4H1H/q-1+2/p-1
InChI Key
RMKGSYMTOCNGNW-UHFFFAOYSA-M
Flash Point
1.4 °F - closed cup
Density
0.979 g/mL at 25 °C
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
244.88185 g/mol
Monoisotopic Mass
244.88185 g/mol
Topological Polar Surface Area
23.8Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
219
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
