alpha-Bromo-2-chlorophenylacetic acid supplier

Name
alpha-Bromo-2-chlorophenylacetic acid
EINECS 604-221-9
CAS No. 141109-25-3
Article Data14
CAS DataBase
Density 1.747 g/cm³
Solubility
Melting Point 108-110 ºC
Formula C₈H₆BrClO₂
Boiling Point 316.7 ºC at 760 mmHg
Molecular Weight 249.491
Flash Point 145.3 ºC
Transport Information
Appearance White crystal
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2-Chlorophenyl)bromoacetic acid;
PSA 37.30000
LogP 2.86060

alpha-Bromo-2-chlorophenylacetic acid Specification

The Benzeneacetic acid, a-bromo-2-chloro-, with its CAS registry number 141109-25-3, has the systematic name of bromo(2-chlorophenyl)acetic acid. For being a kind of white crystalline, it is usually applied as the intermediate of medicine of clopidogrel, with its product categories including Aromatic Phenylacetic Acids and Derivatives; Intermediatesofclopidogrel.

The characteristics of this chemical are as below: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.05; (4)ACD/LogD (pH 7.4): -0.65; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (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; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 49.99 cm³; (15)Molar Volume: 142.7 cm³; (16)Polarizability: 19.82×10^-24 cm³; (17)Surface Tension: 57 dyne/cm; (18)Density: 1.747 g/cm³; (19)Flash Point: 145.3 °C; (20)Enthalpy of Vaporization: 58.92 kJ/mol; (21)Boiling Point: 316.7 °C at 760 mmHg ; (22)Vapour Pressure: 0.00017 mmHg at 25°C.

Additionally, you could obtain the molecular structure by converting the following datas:
(1)SMILES:Clc1ccccc1C(Br)C(=O)O
(2)InChI:InChI=1/C8H6BrClO2/c9-7(8(11)12)5-3-1-2-4-6(5)10/h1-4,7H,(H,11,12)
(3)InChIKey:XHAPROULWZYBGA-UHFFFAOYAO

Product Name

alpha-Bromo-2-chlorophenylacetic acid

alpha-Bromo-2-chlorophenylacetic acid Specification

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