Methyl 4-bromo-2-methylbenzoate supplier

Name
BENZOIC ACID,4-BROMO-2-METHYL-,METHYL ESTER
EINECS
CAS No. 99548-55-7
Article Data92
CAS DataBase
Density 1.434 g/cm³
Solubility
Melting Point 9 °C
Formula C₉H₉BrO₂
Boiling Point 273.627 °C at 760 mmHg
Molecular Weight 229.073
Flash Point 119.286 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms o-Toluic acid, 4-bromo-, methyl ester (6CI);4-Bromo-2-methylbenzoic acid methyl ester;Methyl 4-bromo-o-toluate;
PSA 26.30000
LogP 2.54410

Methyl 4-bromo-2-methylbenzoate Specification

The Methyl 4-bromo-2-methylbenzoate, with the CAS registry number 99548-55-7, is also known as Benzoic acid, 4-bromo-2-methyl-, methyl ester. This chemical's molecular formula is C₉H₉BrO₂ and molecular weight is 229.07. Its systematic name is called methyl 4-bromo-2-methylbenzoate.

Physical properties of Methyl 4-bromo-2-methylbenzoate: (1)ACD/LogP: 3.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 229; (6)ACD/BCF (pH 7.4): 229; (7)ACD/KOC (pH 5.5): 1701; (8)ACD/KOC (pH 7.4): 1701; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.545; (13)Molar Refractivity: 50.541 cm³; (14)Molar Volume: 159.786 cm³; (15)Surface Tension: 39.376 dyne/cm; (16)Density: 1.434 g/cm³; (17)Flash Point: 119.286 °C; (18)Enthalpy of Vaporization: 51.198 kJ/mol; (19)Boiling Point: 273.627 °C at 760 mmHg; (20)Vapour Pressure: 0.006 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ccc(Br)cc1C
(2)InChI: InChI=1/C9H9BrO2/c1-6-5-7(10)3-4-8(6)9(11)12-2/h3-5H,1-2H3
(3)InChIKey: CYEXEOXALMJXDI-UHFFFAOYAV

Product Name

BENZOIC ACID,4-BROMO-2-METHYL-,METHYL ESTER

Methyl 4-bromo-2-methylbenzoate Specification

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