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

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Name

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

EINECS N/A
CAS No. 192810-12-1 Density 1.628 g/cm3
PSA 46.53000 LogP 1.94130
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 N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 192810-12-1 (METHYL 5-BROMO-3-HYDROXYBENZOATE) Hazard Symbols N/A
Synonyms

3-Bromo-5-hydroxy-benzoic acid methyl ester;Methyl 3-bromo-5-hydroxy-benzoate;

Article Data 19

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

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