Benzeneacetonitrile, 3,5-bis(trifluoromethyl)-


Chemical Name: Benzeneacetonitrile, 3,5-bis(trifluoromethyl)-
CAS Number: 85068-32-2
Product Number: AG003IK8(AGN-PC-0JTMX5)
Synonyms:
MDL No:
Molecular Formula: C10H5F6N
Molecular Weight: 253.1438

Identification/Properties


Properties
BP:
195.4 °C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
n20/D 1.4234(lit.)
Solubility:
Difficult to mix.
Computed Properties
Molecular Weight:
253.147g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
1
Exact Mass:
253.033g/mol
Monoisotopic Mass:
253.033g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
287
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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