2-bromo-4-(trifluoromethyl)benzonitrile


Chemical Name: 2-bromo-4-(trifluoromethyl)benzonitrile
CAS Number: 35764-15-9
Product Number: AG003GNF(AGN-PC-0KNVTQ)
Synonyms:
MDL No: MFCD06659467
Molecular Formula: C8H3BrF3N
Molecular Weight: 250.0153

Identification/Properties


Properties
BP:
252.3°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
250.018g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
248.94g/mol
Monoisotopic Mass:
248.94g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
229
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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