2-(5-Bromo-2-chlorophenyl)acetic acid supplier

Name
2-(5-Bromo-2-chlorophenyl)acetic acid
EINECS
CAS No. 177985-34-1
Article Data2
CAS DataBase
Density 1.72 g/cm³
Solubility
Melting Point
Formula C₈H₆BrClO₂
Boiling Point 351.1 °C at 760 mmHg
Molecular Weight 249.49
Flash Point 166.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(5-bromo-2-chlorophenyl)acetic acid
PSA 37.30000
LogP 2.72960

2-(5-Bromo-2-chlorophenyl)acetic acid Specification

This chemical is called 2-(5-Bromo-2-chlorophenyl)acetic acid, and its systematic name is (5-bromo-2-chlorophenyl)acetic acid. With the molecular formula of C₈H₆BrClO₂, its molecular weight is 249.49. The CAS registry number of this chemical is 177985-34-1.

Other characteristics of the 2-(5-Bromo-2-chlorophenyl)acetic acid can be summarised as followings: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.18; (4)ACD/BCF (pH 5.5): 1.87; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 18.75; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 37.3 Å²; (12)Index of Refraction: 1.605; (13)Molar Refractivity: 49.95 cm³; (14)Molar Volume: 145 cm³; (15)Polarizability: 19.8×10^-24cm³; (16)Surface Tension: 53.4 dyne/cm; (17)Density: 1.72 g/cm³; (18)Flash Point: 166.1 °C; (19)Enthalpy of Vaporization: 62.87 kJ/mol; (20)Boiling Point: 351.1 °C at 760 mmHg; (21)Vapour Pressure: 1.56E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1ccc(Br)cc1CC(O)=O
2.InChI: InChI=1/C8H6BrClO2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)
3.InChIKey: UZYYQYJXBQXUDT-UHFFFAOYAU

Product Name

2-(5-Bromo-2-chlorophenyl)acetic acid

2-(5-Bromo-2-chlorophenyl)acetic acid Specification

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