Benzonitrile, trifluoro-


Chemical Name: Benzonitrile, trifluoro-
CAS Number: 143879-80-5
Product Number: AG001IJK(AGN-PC-0JS8M5)
Synonyms:
MDL No: MFCD00013288
Molecular Formula: C7H2F3N
Molecular Weight: 157.0927

Identification/Properties


Properties
MP:
95-99C
BP:
116-118°C at 100 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.4725(lit.)
Computed Properties
Molecular Weight:
157.095g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
157.014g/mol
Monoisotopic Mass:
157.014g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
185
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:
Danger
UN#:
3276
Hazard Statements:
H302-H312-H315-H319-H331-H335
Precautionary Statements:
P261-P280-P305+P351+P338-P311
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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