Basic Information | Post buying leads | Suppliers |
Name |
Benzeneacetic acid,2-chloro-5-fluoro- |
EINECS | N/A | |||
CAS No. | 177985-33-0 | Density | 1.417 g/cm3 | |||
PSA | 37.30000 | LogP | 2.10620 | |||
Solubility | N/A | Melting Point |
114-115°C |
|||
Formula | C8H6ClFO2 | Boiling Point | 289.3 °C at 760 mmHg | |||
Molecular Weight | 188.586 | Flash Point | 128.8 °C | |||
Transport Information | N/A | Appearance | N/A | |||
Safety | Risk Codes |
C:; Molecular Structure |
Hazard Symbols | Xi | ||
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-; |
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