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2,6-Difluorobenzoic acid, ethyl ester

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Name

2,6-Difluorobenzoic acid, ethyl ester

EINECS 943-621-0
CAS No. 19064-14-3 Density 1.222 g/cm3
PSA 26.30000 LogP 2.14150
Solubility N/A Melting Point N/A
Formula C9H8F2O2 Boiling Point 228 °C at 760 mmHg
Molecular Weight 186.158 Flash Point 89.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 19064-14-3 (RARECHEM AL BI 0212) Hazard Symbols N/A
Synonyms

Ethyl 2, 6-difluorobenzoate;

Article Data 7

2,6-Difluorobenzoic acid, ethyl ester Specification

The 2, 6-Difluorobenzoic acid, ethyl ester, with the CAS registry number of 19064-14-3, is also known as Benzoic acid, 2, 6-difluoro-, ethyl ester. This chemical's molecular formula is C9H8F2O2 and molecular weight is 186.16. What's more, its IUPAC name is Ethyl 2, 6-difluorobenzoate.

Physical properties about 2, 6-Difluorobenzoic acid, ethyl ester are: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.27; (4)ACD/LogD (pH 7.4): 2.27; (5)ACD/BCF (pH 5.5): 31.18; (6)ACD/BCF (pH 7.4): 31.18; (7)ACD/KOC (pH 5.5): 408.27; (8)ACD/KOC (pH 7.4): 408.27; (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: 1.472; (14)Molar Refractivity: 42.64 cm3; (15)Molar Volume: 152.2 cm3; (16)Surface Tension: 33.4 dyne/cm; (17)Density: 1.222 g/cm3; (18)Flash Point: 89.2 °C; (19)Enthalpy of Vaporization: 46.46 kJ/mol; (20)Boiling Point: 228 °C at 760 mmHg; (21)Vapour Pressure: 0.075 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1c(F)cccc1F
(2) InChI: InChI=1/C9H8F2O2/c1-2-13-9(12)8-6(10)4-3-5-7(8)11/h3-5H,2H2,1H3
(3) InChIKey: FBQKPNPHWYPJFU-UHFFFAOYAM

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