Ethanone,1-[2-chloro-5-(trifluoromethyl)phenyl]- (71648-45-8)

Identification
Name:	Ethanone,1-[2-chloro-5-(trifluoromethyl)phenyl]-
Synonyms:	1-[2-Chloro-5-(trifluoromethyl)phenyl]ethanone
CAS:	71648-45-8
Molecular Formula:	C9H6 Cl F3 O
Molecular Weight:	222.59
InChI:	InChI=1/C9H6ClF3O/c1-5(14)7-4-6(9(11,12)13)2-3-8(7)10/h2-4H,1H3
Molecular Structure:
Properties
Transport:	1993
Flash Point:	196 °F
Density:	1.392 g/mL at 25 °C(lit.)
Refractive index:	n20/D 1.4810(lit.)
Specification:	Product Name: Acetophenone, 2-chloro-5-trifluoromethyl- (CAS NO.71648-45-8) Molecular Formula: C₉H₆ClF₃O Molecular Weight: 222.59g/mol Mol File: 71648-45-8.mol Boiling point: 193.4 °C at 760 mmHg Flash Point: 70.8 °C Density: 1.337 g/cm³ Refractive index: n20/D 1.4810(lit.) Surface Tension: 28.7 dyne/cm Enthalpy of Vaporization: 42.96 kJ/mol Vapour Pressure: 0.466 mmHg at 25°C XLogP3-AA: 3.1 H-Bond Donor: 0 H-Bond Acceptor: 4 Structure Descriptors of Acetophenone, 2-chloro-5-trifluoromethyl- (CAS NO.71648-45-8): IUPAC Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]ethanone Canonical SMILES: CC(=O)C1=C(C=CC(=C1)C(F)(F)F)Cl InChI: InChI=1S/C9H6ClF3O/c1-5(14)7-4-6(9(11,12)13)2-3-8(7)10/h2-4H,1H3 InChIKey: YRGBMTWHOFQSDJ-UHFFFAOYSA-N
Flash Point:	196 °F
Safety Data
Hazard Symbols	Xi: Irritant F: Flammable