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34837-84-8

Basic Information
CAS No.: 34837-84-8
Name: METHYL 4-FLUOROPHENYLACETATE, 99
Article Data: 73
Molecular Structure:
Molecular Structure of 34837-84-8 (METHYL 4-FLUOROPHENYLACETATE, 99)
Formula: C9H9FO2
Molecular Weight: 168.168
Synonyms: (4-Fluorophenyl)aceticacid methyl ester;Methyl2-(4-fluorophenyl)acetate;Methyl p-fluorophenylacetate;
Density: 1.148 g/cm3
Boiling Point: 211.007 °C at 760 mmHg
Flash Point: 79.367 °C
Appearance: clear colorless to yellow liquid
Risk Codes: 36/37/38
Safety: 36/37/39-26
PSA: 26.30000
LogP: 1.54120
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  • Methyl 4-fluorophenylacetate

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    34837-84-8

    Methyl 4-fluorophenylacetate

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Specification

The Benzeneacetic acid, 4-fluoro-, methyl ester, with the CAS registry number of 34837-84-8, is also known as (4-Fluorophenyl)aceticacid methyl ester and Methyl (4-fluorophenyl)acetate. This chemical's molecular formula is C9H9FO2 and molecular weight is 168.166. What's more, its IUPAC name is Methyl 2-(4-fluorophenyl)acetate.

Physical properties about Benzeneacetic acid, 4-fluoro-, methyl ester are: (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: 16.73×10-24 cm3; (17)Surface Tension: 34.7 dyne/cm; (18)Density: 1.148 g/cm3; (19)Flash Point: 79.4 °C; (20)Enthalpy of Vaporization: 44.73 kJ/mol; (21)Boiling Point: 211 °C at 760 mmHg; (22)Vapour Pressure: 0.187 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(cc1)CC(=O)OC
(2) InChI: InChI=1/C9H9FO2/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3
(3) InChIKey: AJPPKGMEHMXPMC-UHFFFAOYAJ