Ethanone, 1-[2-chloro-5-(trifluoromethyl)phenyl]-


Chemical Name: Ethanone, 1-[2-chloro-5-(trifluoromethyl)phenyl]-
CAS Number: 71648-45-8
Product Number: AG003CTM(AGN-PC-0JMTXU)
Synonyms:
MDL No: MFCD00045092
Molecular Formula: C9H6ClF3O
Molecular Weight: 222.5915

Identification/Properties


Properties
BP:
193.4°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.4810(lit.)
Computed Properties
Molecular Weight:
222.591g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
222.006g/mol
Monoisotopic Mass:
222.006g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
227
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#:
-
Hazard Statements:
H227-H315-H319
Precautionary Statements:
P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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