Benzonitrile, 2-(trifluoromethoxy)-


Chemical Name: Benzonitrile, 2-(trifluoromethoxy)-
CAS Number: 63968-85-4
Product Number: AG003F5C(AGN-PC-0KKY35)
Synonyms:
MDL No: MFCD00042409
Molecular Formula: C8H4F3NO
Molecular Weight: 187.1187

Identification/Properties


Properties
BP:
201.6°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
1.449
Computed Properties
Molecular Weight:
187.121g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
187.024g/mol
Monoisotopic Mass:
187.024g/mol
Topological Polar Surface Area:
33A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
217
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:
H301+H311+H331-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338-P311
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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