Benzeneacetic acid, 3-bromo-4-hydroxy-5-methoxy- supplier

Name
3-BROMO-4-HYDROXY-5-METHOXYPHENYLACETIC ACID
EINECS
CAS No. 206559-42-4
Article Data2
CAS DataBase
Density 1.678 g/cm³
Solubility
Melting Point 183 °C
Formula C₉H₉BrO₄
Boiling Point 379.2 °C at 760 mmHg
Molecular Weight 261.0694
Flash Point 183.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms (3-Bromo-4-hydroxy-5-methoxyphenyl)aceticacid;3-Bromo-4-hydroxy-5-methoxyphenylacetic acid;
PSA 66.76000
LogP 1.79040

Benzeneacetic acid, 3-bromo-4-hydroxy-5-methoxy- Specification

The Benzeneacetic acid, 3-bromo-4-hydroxy-5-methoxy-, with the CAS registry number 206559-42-4, has the systematic name of (3-bromo-4-hydroxy-5-methoxyphenyl)acetic acid. It is also called 2-(3-bromo-4-hydroxy-5-methoxyphenyl)acetic acid. And the molecular formula of this chemical is C₉H₉BrO₄.

The physical properties of Benzeneacetic acid, 3-bromo-4-hydroxy-5-methoxy- are as following: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.23; (4)ACD/LogD (pH 7.4): -1.55; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.76; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 53.61 cm³; (15)Molar Volume: 155.4 cm³; (16)Polarizability: 21.25×10^-24cm³; (17)Surface Tension: 57.3 dyne/cm; (18)Density: 1.678 g/cm³; (19)Flash Point: 183.1 °C; (20)Enthalpy of Vaporization: 66.16 kJ/mol; (21)Boiling Point: 379.2 °C at 760 mmHg; (22)Vapour Pressure: 2E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(cc(OC)c1O)CC(=O)O
(2)InChI: InChI=1/C9H9BrO4/c1-14-7-3-5(4-8(11)12)2-6(10)9(7)13/h2-3,13H,4H2,1H3,(H,11,12)
(3)InChIKey: RKJWTDZZELJFSC-UHFFFAOYAE

Product Name

3-BROMO-4-HYDROXY-5-METHOXYPHENYLACETIC ACID

Benzeneacetic acid, 3-bromo-4-hydroxy-5-methoxy- Specification

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