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101931-68-4

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Basic Information
CAS No.: 101931-68-4
Name: 5,5,5-trifluoro-4-hydroxy-1-phenyl-4-(trifluoromethyl)pentan-2-one
Molecular Structure:
Molecular Structure of 101931-68-4 (5,5,5-trifluoro-4-hydroxy-1-phenyl-4-(trifluoromethyl)pentan-2-one)
Formula: C12H10 F6 O2
Molecular Weight: 300.22
Synonyms: NSC 168576
Density: 1.391g/cm3
Boiling Point: 319.5°Cat760mmHg
Flash Point: 147°C
Safety: A poison by intravenous route. A flammable liquid. When heated to decomposition it emits toxic vapors of F−.
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    (3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl))propyl benzyl ketone

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  • (3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl))propyl benzyl ketone

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    101931-68-4

    (3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl))propyl benzyl ketone

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    FOB Price:  USD $ 0.0-0.0

    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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Chemistry

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

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 .

Safety Profile

A poison by intravenous route. A flammable liquid. When heated to decomposition it emits toxic vapors of F−.

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

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)- .