-
Name
METHYL 2-FLUOROPHENYLACETATE
- EINECS
- CAS No. 57486-67-6
- Article Data21
- CAS DataBase
- Density 1.148g/cm3
- Solubility
- Melting Point
- Formula C9H9FO2
- Boiling Point 206.6 °C at 760 mmHg
- Molecular Weight 168.168
- Flash Point 76.8 °C
- Transport Information
- Appearance clear colorless liquid
- Safety 24/25
- Risk Codes 22
-
Molecular Structure
- Hazard Symbols Xn
- Synonyms METHYL 2-FLUOROPHENYLACETATE;2-FLUORO-PHENYLACETIC ACIDMETHYL ESTER;2-Flurophenylacetic acid methyl ester;Methyl 2-fluorophenylacetate,99%;Methyl 2-(2-fluorophenyl)acetate
- PSA 26.30000
- LogP 1.54120
Methyl 2-(2-fluorophenyl)acetate Specification
The Methyl 2-(2-fluorophenyl)acetate, with CAS registry number 57486-67-6, has the systematic name of methyl (2-fluorophenyl)acetate. Besides this, it is also called Benzeneacetic acid, 2-fluoro-, methyl ester. This chemical is a kind of clear colorless liquid. When use it, avoid contact with skin and eyes. And the chemical formula of this chemical is C9H9FO2.
Physical properties of Methyl 2-(2-fluorophenyl)acetate: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 20.11; (6)ACD/BCF (pH 7.4): 20.11; (7)ACD/KOC (pH 5.5): 298.27; (8)ACD/KOC (pH 7.4): 298.27; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 42.2 cm3; (15)Molar Volume: 146.4 cm3; (16)Polarizability: 16.73×10-24cm3; (17)Surface Tension: 34.7 dyne/cm; (18)Density: 1.148 g/cm3; (19)Flash Point: 76.8 °C; (20)Enthalpy of Vaporization: 44.28 kJ/mol; (21)Boiling Point: 206.6 °C at 760 mmHg; (22)Vapour Pressure: 0.235 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccccc1CC(=O)OC
(2)InChI: InChI=1/C9H9FO2/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3
(3)InChIKey: TWXVEZBPKFIMBB-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C9H9FO2/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3
(5)Std. InChIKey: TWXVEZBPKFIMBB-UHFFFAOYSA-N
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