2-(Bromomethyl)benzonitrile


Chemical Name: 2-(Bromomethyl)benzonitrile
CAS Number: 22115-41-9
Product Number: AG00I4CD(AGN-PC-0WA593)
Synonyms:
MDL No:
Molecular Formula: C8H6BrN
Molecular Weight: 196.04394

Identification/Properties


Properties
MP:
72-74 °C(lit.)
BP:
264.6 °C at 760 mmHg
Storage:
Light sensitive;Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.6550 (estimate)
Computed Properties
Molecular Weight:
196.047g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
194.968g/mol
Monoisotopic Mass:
194.968g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
147
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:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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