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| Name |
(3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl))propyl benzyl ketone |
EINECS | N/A |
| CAS No. | 101931-68-4 | Density | 1.391g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H10 F6 O2 | Boiling Point | 319.5°Cat760mmHg |
| Molecular Weight | 300.22 | Flash Point | 147°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by intravenous route. A flammable liquid. When heated to decomposition it emits toxic vapors of F−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
NSC 168576 |
(3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl))propyl benzyl ketone Chemical Properties
Molecular Structure of (3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl))propyl benzyl ketone (CAS NO. 101931-68-4):
IUPAC Name: 5,5,5-Trifluoro-4-hydroxy-1-phenyl-4-(trifluoromethyl)pentan-2-one
Molecular Formula: C12H10F6O2
Molecular Weight: 300.197019 g/mol
XLogP3-AA: 2.9
H-Bond Donor: 1
H-Bond Acceptor: 8
Canonical SMILES: C1=CC=C(C=C1)CC(=O)CC(C(F)(F)F)(C(F)(F)F)O
InChI: InChI=1S/C12H10F6O2/c13-11(14,15)10(20,12(16,17)18)7-9(19)6-8-4-2-1-3-5-8/h1-5,20H,6-7H2
InChIKey: HUAFVTMSVNQVEQ-UHFFFAOYSA-N
Index of Refraction: 1.439
Molar Refractivity: 56.77 cm3
Molar Volume: 215.7 cm3
Surface Tension: 30.5 dyne/cm
Density: 1.391 g/cm3
Flash Point: 147 °C
Enthalpy of Vaporization: 59.24 kJ/mol
Boiling Point: 319.5 °C at 760 mmHg
Vapour Pressure of (3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl))propyl benzyl ketone (CAS NO. 101931-68-4): 0.00014 mmHg at 25 °C
(3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl))propyl benzyl ketone Toxicity Data With Reference
| 1. | ivn-mus LD50:100 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#09216 . |
(3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl))propyl benzyl ketone Safety Profile
A poison by intravenous route. A flammable liquid. When heated to decomposition it emits toxic vapors of F−.
(3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl))propyl benzyl ketone Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid
(3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl))propyl benzyl ketone Specification
(3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl))propyl benzyl ketone with cas registry number of 101931-68-4 is also called for 2-Pentanone, 4-hydroxy-1-phenyl-5,5,5-trifluoro-4-(trifluoromethyl)- .
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