Benzonitrile, 3-bromo-4-methyl-


Chemical Name: Benzonitrile, 3-bromo-4-methyl-
CAS Number: 42872-74-2
Product Number: AG0033MA(AGN-PC-00036L)
Synonyms:
MDL No: MFCD06797818
Molecular Formula: C8H6BrN
Molecular Weight: 196.0439

Identification/Properties


Properties
MP:
41-45 °C
BP:
259°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
196.047g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
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:
158
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#:
N/A
Hazard Statements:
H302+H312+H332
Precautionary Statements:
P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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