Benzoic acid, 3-bromo-5-hydroxy-, methyl ester supplier

Name
METHYL 5-BROMO-3-HYDROXYBENZOATE
EINECS
CAS No. 192810-12-1
Article Data19
CAS DataBase
Density 1.628 g/cm³
Solubility Slightly soluble in water.
Melting Point 130-135℃
Formula C₈H₇BrO₃
Boiling Point 331.251 °C at 760 mmHg
Molecular Weight 231.046
Flash Point 154.135 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Bromo-5-hydroxy-benzoic acid methyl ester;Methyl 3-bromo-5-hydroxy-benzoate;
PSA 46.53000
LogP 1.94130

Benzoic acid, 3-bromo-5-hydroxy-, methyl ester Specification

The Benzoic acid, 3-bromo-5-hydroxy-, methyl ester, with the CAS registry number 192810-12-1, is also known as 3-Bromo-5-hydroxy-benzoic acid methyl ester. It belongs to the product category of Aromatic Esters. This chemical's molecular formula is C₈H₇BrO₃ and molecular weight is 231.04. What's more, its systematic name is methyl 3-bromo-5-hydroxy-benzoate.

Physical properties of Benzoic acid, 3-bromo-5-hydroxy-, methyl ester are: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.968; (4)ACD/LogD (pH 7.4): 1.903; (5)ACD/BCF (pH 5.5): 18.434; (6)ACD/BCF (pH 7.4): 15.878; (7)ACD/KOC (pH 5.5): 280.086; (8)ACD/KOC (pH 7.4): 241.256; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.53 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 47.598 cm³; (15)Molar Volume: 141.941 cm³; (16)Polarizability: 18.869×10^-24cm³; (17)Surface Tension: 50.101 dyne/cm; (18)Density: 1.628 g/cm³; (19)Flash Point: 154.135 °C; (20)Enthalpy of Vaporization: 59.668 kJ/mol; (21)Boiling Point: 331.251 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1cc(cc(c1)Br)O
(2)InChI: InChI=1S/C8H7BrO3/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4,10H,1H3
(3)InChIKey: KRTBWIIGEJIUSA-UHFFFAOYSA-N

Product Name

METHYL 5-BROMO-3-HYDROXYBENZOATE

Benzoic acid, 3-bromo-5-hydroxy-, methyl ester Specification

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