Benzonitrile, 2-amino-4-(trifluoromethyl)-


Chemical Name: Benzonitrile, 2-amino-4-(trifluoromethyl)-
CAS Number: 1483-54-1
Product Number: AG001FLX(AGN-PC-00MKR8)
Synonyms:
MDL No:
Molecular Formula: C8H5F3N2
Molecular Weight: 186.1339

Identification/Properties


Properties
MP:
88.0 to 92.0 °C
BP:
127°C/7mmHg(lit.)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
186.137g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
186.04g/mol
Monoisotopic Mass:
186.04g/mol
Topological Polar Surface Area:
49.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
227
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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