Benzeneacetonitrile, 2-chloro-5-(trifluoromethyl)-


Chemical Name: Benzeneacetonitrile, 2-chloro-5-(trifluoromethyl)-
CAS Number: 22902-88-1
Product Number: AG002LF8(AGN-PC-0KKYOK)
Synonyms:
MDL No:
Molecular Formula: C9H5ClF3N
Molecular Weight: 219.5909

Identification/Properties


Properties
MP:
30-32 °C
BP:
247.4°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
219.591g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
219.006g/mol
Monoisotopic Mass:
219.006g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
242
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#:
3439
Hazard Statements:
H301-H312-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P301+P310-P305+P351+P338
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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