CAS No.81682-38-4,2-Bromo-5-chlorophenylacetic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	81682-38-4
Name:	2-Bromo-5-chlorophenylacetic acid

Formula:	C₈H₆BrClO₂
Molecular Weight:	249.491
Synonyms:	(2-Bromo-5-chlorophenyl)aceticacid;2-(2-Bromo-5-chlorophenyl)acetic acid;(2-bromo-5-chlorophenyl)acetic acid;Benzeneacetic acid, 2-bromo-5-chloro-;
Density:	1.72 g/cm³
Melting Point:	101-103°C
Boiling Point:	345.6 °C at 760 mmHg
Flash Point:	162.8 °C
Hazard Symbols:	Xi
Risk Codes:	22
PSA:	37.30000
LogP:	2.72960

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Specification

The Benzeneacetic acid,2-bromo-5-chloro-, with the CAS registry number 81682-38-4, has the systematic name of (2-bromo-5-chlorophenyl)acetic acid. It is a kind of irritant chemical, and the molecular formula of the chemical is C₈H₆BrClO₂.

The characteristics of Benzeneacetic acid,2-bromo-5-chloro- are as followings: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.18; (4)ACD/LogD (pH 7.4): -0.51; (5)ACD/BCF (pH 5.5): 1.87; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18.75; (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: 1.605; (14)Molar Refractivity: 49.95 cm³; (15)Molar Volume: 145 cm³; (16)Polarizability: 19.8×10^-24cm³; (17)Surface Tension: 53.4 dyne/cm; (18)Density: 1.72 g/cm³; (19)Flash Point: 162.8 °C; (20)Enthalpy of Vaporization: 62.23 kJ/mol; (21)Boiling Point: 345.6 °C at 760 mmHg; (22)Vapour Pressure: 2.32E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1ccc(Cl)cc1CC(=O)O
(2)InChI: InChI=1/C8H6BrClO2/c9-7-2-1-6(10)3-5(7)4-8(11)12/h1-3H,4H2,(H,11,12)
(3)InChIKey: ZPSZXWVBMOMXED-UHFFFAOYAV