-
Name
2'-FLUORO-6'-HYDROXYACETOPHENONE
- EINECS
- CAS No. 93339-98-1
- Article Data5
- CAS DataBase
- Density 1.247 g/cm3
- Solubility
- Melting Point
- Formula C8H7FO2
- Boiling Point 224 °C at 760 mmHg
- Molecular Weight 154.141
- Flash Point 89.3 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
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Hazard Symbols
Xi
- Synonyms 1-(2-Fluoro-6-hydroxyphenyl)ethanone;2-Fluoro-6-hydroxyacetophenone;2'-Fluoro-6'-hydroxyacetophenone;1-(2-fluoro-6-hydroxyphenyl)ethanone;Ethanone, 1-(2-fluoro-6-hydroxyphenyl)-;2'-Fluoro-6'-hydroxyacetophenone;3,5-Difluoroanisole;
- PSA 37.30000
- LogP 1.73390
2'-Fluoro-6'-hydroxyacetophenone Specification
The Ethanone,1-(2-fluoro-6-hydroxyphenyl)-, with the CAS registry number 93339-98-1, has the systematic name of 1-(2-fluoro-6-hydroxyphenyl)ethanone. It belongs to the following product categories: Aromatic Acetophenones & Derivatives (substituted). And the molecular formula of the chemical is C8H7FO2.
The characteristics of Ethanone,1-(2-fluoro-6-hydroxyphenyl)- are as followings: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 1.98; (5)ACD/BCF (pH 5.5): 19.17; (6)ACD/BCF (pH 7.4): 18.85; (7)ACD/KOC (pH 5.5): 288.18; (8)ACD/KOC (pH 7.4): 283.39; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 38.15 cm3; (15)Molar Volume: 123.6 cm3; (16)Polarizability: 15.12×10-24cm3; (17)Surface Tension: 41.9 dyne/cm; (18)Density: 1.247 g/cm3; (19)Flash Point: 89.3 °C; (20)Enthalpy of Vaporization: 47.92 kJ/mol; (21)Boiling Point: 224 °C at 760 mmHg; (22)Vapour Pressure: 0.0626 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1c(F)cccc1O)C
(2)InChI: InChI=1/C8H7FO2/c1-5(10)8-6(9)3-2-4-7(8)11/h2-4,11H,1H3
(3)InChIKey: PSNPXFMLAVLPPP-UHFFFAOYAK
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