Benzeneacetonitrile, 4-(trifluoromethyl)-


Chemical Name: Benzeneacetonitrile, 4-(trifluoromethyl)-
CAS Number: 2338-75-2
Product Number: AG002N1Y(AGN-PC-0JLPB5)
Synonyms:
MDL No:
Molecular Formula: C9H6F3N
Molecular Weight: 185.1458

Identification/Properties


Properties
MP:
47-49 °C(lit.)
BP:
246°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
185.149g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
185.045g/mol
Monoisotopic Mass:
185.045g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
205
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+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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