Methyl 3-bromo-2-methylbenzoate supplier

Name
3-BROMO-2-METHYL-BENZOIC ACID METHYL ESTER
EINECS
CAS No. 99548-54-6
Article Data42
CAS DataBase
Density 1.434 g/cm³
Solubility
Melting Point 29 °C
Formula C₉H₉BrO₂
Boiling Point 256.264 °C at 760 mmHg
Molecular Weight 229.073
Flash Point 108.785 °C
Transport Information
Appearance white solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms o-Toluicacid, 3-bromo-, methyl ester (6CI);3-Bromo-2-methylbenzoic acid methyl ester;
PSA 26.30000
LogP 2.54410

Methyl 3-bromo-2-methylbenzoate Specification

The Benzoic acid,3-bromo-2-methyl-, methyl ester, with the CAS registry number 99548-54-6, is also known as 3-Bromo-2-methyl-benzoic acid methy; l ester. It belongs to the product categories of Aromatic Esters; Acids & Esters; Bromine Compounds. This chemical's molecular formula is C₉H₉BrO₂ and molecular weight is 229.07. Its systematic name is called methyl 3-bromo-2-methylbenzoate.

Physical properties of Benzoic acid,3-bromo-2-methyl-, methyl ester: (1)ACD/LogP: 2.85; (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): 202; (6)ACD/BCF (pH 7.4): 202; (7)ACD/KOC (pH 5.5): 1558; (8)ACD/KOC (pH 7.4): 1558; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.545; (12)Molar Refractivity: 50.541 cm³; (13)Molar Volume: 159.786 cm³; (14)Surface Tension: 39.376 dyne/cm; (15)Density: 1.434 g/cm³; (16)Flash Point: 108.785 °C; (17)Enthalpy of Vaporization: 49.377 kJ/mol; (18)Boiling Point: 256.264 °C at 760 mmHg; (19)Vapour Pressure: 0.016 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(cccc1Br)C(=O)OC
(2)InChI: InChI=1/C9H9BrO2/c1-6-7(9(11)12-2)4-3-5-8(6)10/h3-5H,1-2H3
(3)InChIKey: MKQQTCSBXHAYQL-UHFFFAOYAM

Product Name

3-BROMO-2-METHYL-BENZOIC ACID METHYL ESTER

Methyl 3-bromo-2-methylbenzoate Specification

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