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


Chemical Name: Benzeneacetonitrile, 2-fluoro-4-(trifluoromethyl)-
CAS Number: 239087-11-7
Product Number: AG00BF89(AGN-PC-0KK8MP)
Synonyms:
MDL No:
Molecular Formula: C9H5F4N
Molecular Weight: 203.1363

Identification/Properties


Properties
BP:
219°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
203.14g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
203.036g/mol
Monoisotopic Mass:
203.036g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
239
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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