Benzeneacetonitrile,2-bromo-4-(trifluoromethyl)-


Chemical Name: Benzeneacetonitrile,2-bromo-4-(trifluoromethyl)-
CAS Number: 474024-36-7
Product Number: AG003GNG(AGN-PC-0RV6F8)
Synonyms:
MDL No:
Molecular Formula: C9H5BrF3N
Molecular Weight: 264.0419

Identification/Properties


Properties
BP:
268.5°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
n20/D 1.5020(lit.)
Computed Properties
Molecular Weight:
264.045g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
262.956g/mol
Monoisotopic Mass:
262.956g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
242
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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