Name: 3-CHLORO-2-FLUOROPHENYLACETIC ACID
SKU: 261762-96-3

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Basic Information

Molecular Structure:
CAS No.:	261762-96-3
Name:	3-CHLORO-2-FLUOROPHENYLACETIC ACID
Article Data:	1

Formula:	C₈H₅ClFO₂
Molecular Weight:	188.586
Synonyms:	3-Chloro-2-fluorophenylaceticacid;
Density:	1.417 g/cm³
Melting Point:	296.4 °C at 760 mmHg
Boiling Point:	296.4oC at 760mmHg
Flash Point:	133.1 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	37.30000
LogP:	2.10620

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Specification

The Benzeneacetic acid,3-chloro-2-fluoro-, with the CAS registry number 261762-96-3, is also known as (3-Chloro-2-fluorophenyl)acetic acid. It belongs to the product category of Phenylacetic acid. This chemical's molecular formula is C₈H₅ClFO₂ and molecular weight is 188.59. What's more, its IUPAC name is 2-(3-Chloro-2-fluorophenyl)acetic acid.

Physical properties about Benzeneacetic acid,3-chloro-2-fluoro are: (1)ACD/LogP: 2.26; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.59; (4)ACD/LogD (pH 7.4): -1.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.71; (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: 26.3 Å²; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 42.25 cm³; (15)Molar Volume: 133 cm³; (16)Polarizability: 16.75×10^-24cm³; (17)Surface Tension: 47.1 dyne/cm; (18)Density: 1.417 g/cm³; (19)Flash Point: 133.1 °C; (20)Enthalpy of Vaporization: 56.62 kJ/mol; (21)Boiling Point: 296.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000648 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(cccc1Cl)CC(=O)O
(2) InChI: InChI=1/C8H6ClFO2/c9-6-3-1-2-5(8(6)10)4-7(11)12/h1-3H,4H2,(H,11,12)
(3) InChIKey: LBGHWXGWKTZILK-UHFFFAOYAK