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399-24-6

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Basic Information
CAS No.: 399-24-6
Name: 10-Fluoro-1-phenyl-1-decanone
Molecular Structure:
Molecular Structure of 399-24-6 (10-Fluoro-1-phenyl-1-decanone)
Formula: C16H23FO
Molecular Weight: 250.39
Synonyms: 10-Fluor-1-phenyl-decan-1-on;Decanophenone,10-fluoro;9-Fluorononyl phenyl ketone;10-fluoro-1-phenyl-decan-1-one;
Density: 0.968g/cm3
Boiling Point: 344.4°Cat760mmHg
Flash Point: 185.5°C
Safety: A poison by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of F− and Cl−.
PSA: 17.07000
LogP: 4.95960
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Chemistry

The Molecular Structure of 9-Fluorononyl phenyl ketone (CAS NO.399-24-6):

Molecular Formula: C16H23FO
Molecular Weight: 250.351623 g/mol
IUPAC: 10-fluoro-1-phenyldecan-1-one
Density: 0.968 g/cm3
Flash Point: 185.5 °C
Enthalpy of Vaporization: 58.83 kJ/mol
Boiling Point: 344.4 °C at 760 mmHg
Vapour Pressure: 6.61E-05 mmHg at 25°C 
Polar Surface Area: 17.07Å2
Index of Refraction: 1.48
Molar Refractivity: 73.5 cm3
Molar Volume: 258.4 cm3
Surface Tension: 33.1 dyne/cm 
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 5.14
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 5.5): 4737.77
ACD/BCF (pH 7.4): 4737.77
ACD/KOC (pH 5.5): 14878.83
ACD/KOC (pH 7.4): 14878.83 
InChI: InChI=1/C16H23FO/c17-14-10-5-3-1-2-4-9-13-16(18)15-11-7-6-8-12-15/h6-8,11-12H,1-5,9-10,13-14H2
Smiles: C(=O)(c1ccccc1)CCCCCCCCCF

Toxicity Data With Reference

1.    

ipr-mus LD50:90 mg/kg

     JACSAT    Journal of the American Chemical Society. 79 (1957),1959.

Safety Profile

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

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Specification

 9-Fluorononyl phenyl ketone (CAS NO.399-24-6) is also called as 4-07-00-00829 (Beilstein Handbook Reference) ; BRN 3276151 ; Decanophenone, 10-fluoro- .