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4-Chloro-2,6-difluorophenylacetic acid

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Name

4-Chloro-2,6-difluorophenylacetic acid

EINECS N/A
CAS No. 537033-55-9 Density 1.505 g/cm3
PSA 37.30000 LogP 2.24530
Solubility N/A Melting Point 136-139℃
Formula C8H5ClF2O2 Boiling Point 273.6 °C at 760 mmHg
Molecular Weight 206.576 Flash Point 119.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 537033-55-9 (4-Chloro-2,6-difluorophenylacetic acid) Hazard Symbols IrritantXi
Synonyms

Benzeneacetic acid, 4-chloro-2,6-difluoro-;

 

4-Chloro-2,6-difluorophenylacetic acid Specification

The 4-Chloro-2,6-difluorophenylacetic acid with the CAS number 537033-55-9 is also called Benzeneacetic acid, 4-chloro-2,6-difluoro-. Its molecular formula is C8H5ClF2O2. This chemical is irritant. While using this chemical, you should be very cautious.

The properties of the chemical are: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.54; (4)ACD/LogD (pH 7.4): -2.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.66; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 42.24 cm3; (15)Molar Volume: 137.2 cm3; (16)Polarizability: 16.74×10-24cm3; (17)Surface Tension: 45.1 dyne/cm; (18)Enthalpy of Vaporization: 54.08 kJ/mol; (19)Vapour Pressure: 0.00276 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(c(F)cc(Cl)c1)CC(=O)O
(2)InChI: InChI=1/C8H5ClF2O2/c9-4-1-6(10)5(3-8(12)13)7(11)2-4/h1-2H,3H2,(H,12,13)
(3)InChIKey: LITZKYPXFPYSOE-UHFFFAOYAY

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