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CAS No.: | 177985-33-0 |
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Name: | 2-CHLORO-5-FLUOROPHENYLACETIC ACID |
Molecular Structure: | |
Formula: | C8H6ClFO2 |
Molecular Weight: | 188.586 |
Synonyms: | 2-Chloro-5-fluorophenylaceticacid;(2-Chloro-5-fluorophenyl)acetic acid;2-(2-Chloro-5-fluorophenyl)acetic acid;2-Chloro-5-fluorophenylacetic acid;Benzeneacetic acid, 2-chloro-5-fluoro-; |
Density: | 1.417 g/cm3 |
Melting Point: | 114-115°C |
Boiling Point: | 289.3 °C at 760 mmHg |
Flash Point: | 128.8 °C |
Hazard Symbols: | Xi |
Risk Codes: | C:; C:; 37.30000 |
LogP: | 2.10620 |
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The Benzeneacetic acid,2-chloro-5-fluoro-, with the CAS registry number 177985-33-0, has the systematic name of (2-chloro-5-fluorophenyl)acetic acid. It is also called 2-(2-Chloro-5-fluorophenyl)acetic acid. And the molecular formula of this chemical is C8H6ClFO2.
The physical properties of Benzeneacetic acid,2-chloro-5-fluoro- are as following: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.44; (4)ACD/LogD (pH 7.4): -1.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.3; (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: 128.8 °C; (20)Enthalpy of Vaporization: 55.83 kJ/mol; (21)Boiling Point: 289.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00102 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(F)cc1CC(=O)O
(2)InChI: InChI=1/C8H6ClFO2/c9-7-2-1-6(10)3-5(7)4-8(11)12/h1-3H,4H2,(H,11,12)
(3)InChIKey: VFUKAVLGRHSSPG-UHFFFAOYAG