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| Name |
Acetophenone, 2-chloro-5-trifluoromethyl- |
EINECS | N/A | ||||||||||||
| CAS No. | 71648-45-8 | Density | 1.392 g/mL at 25 °C(lit.) | ||||||||||||
| PSA | 17.07000 | LogP | 3.56140 | ||||||||||||
| Solubility | Sparingly soluble in water 0.11g/L @ 25°C. | Melting Point |
N/A |
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| Formula | C9H6 Cl F3 O | Boiling Point | 204-205 °C(lit.) | ||||||||||||
| Molecular Weight | 222.594 | Flash Point | 196 °F | ||||||||||||
| Transport Information | N/A | Appearance | N/A | ||||||||||||
| Safety |
|
Risk Codes | 36/37/38 | ||||||||||||
| Molecular Structure |
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Hazard Symbols |
 
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| Synonyms |
1-[2-Chloro-5-(trifluoromethyl)phenyl]ethanone |
Acetophenone, 2-chloro-5-trifluoromethyl- Safety Profile
Safety Information of Acetophenone, 2-chloro-5-trifluoromethyl- (CAS NO.71648-45-8):
Hazard Codes: Xi
,F
Risk Statements: 36/37/38
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements: 26-36/37/39
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
RIDADR: 1993
WGK Germany: 3
Hazard Note: Flammable/Irritant
HazardClass: FLAMMABLE
Acetophenone, 2-chloro-5-trifluoromethyl- 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
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