Methyl 2-bromo-6-methylbenzoate supplier

Name
Methyl 2-bromo-6-methylbenzoate
EINECS
CAS No. 99548-56-8
Article Data12
CAS DataBase
Density 1.434 g/cm³
Solubility
Melting Point
Formula C₉H₉BrO₂
Boiling Point 254.288 °C at 760 mmHg
Molecular Weight 229.073
Flash Point 107.59 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms o-Toluicacid, 6-bromo-, methyl ester (6CI);2-Bromo-6-methylbenzoic acid methyl ester;Methyl 2-bromo-6-methylbenzoate;
PSA 26.30000
LogP 2.54410

Methyl 2-bromo-6-methylbenzoate Specification

The CAS register number of Methyl 2-bromo-6-methylbenzoate is 99548-56-8. It also can be called as Benzoic acid,2-bromo-6-methyl-, methyl ester and the systematic name about this chemical is methyl 2-bromo-6-methylbenzoate. The molecular formula about this chemical is C₉H₉BrO₂and the molecular weight is 229.07. It belongs to the following product categories, such as Aromatic Esters; Pharmaceutical intermediate and so on.

Physical properties about Methyl 2-bromo-6-methylbenzoate are: (1)ACD/LogP: 3.02; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 113; (5)ACD/BCF (pH 7.4): 113; (6)ACD/KOC (pH 5.5): 1028; (7)ACD/KOC (pH 7.4): 1028; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.3Å²; (11)Index of Refraction: 1.545; (12)Molar Refractivity: 50.541 cm³; (13)Molar Volume: 159.786 cm³; (14)Polarizability: 20.036x10^-24cm³; (15)Surface Tension: 39.376 dyne/cm; (16)Enthalpy of Vaporization: 49.171 kJ/mol; (17)Boiling Point: 254.288 °C at 760 mmHg; (18)Vapour Pressure: 0.017 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1c(cccc1Br)C
(2)InChI: InChI=1/C9H9BrO2/c1-6-4-3-5-7(10)8(6)9(11)12-2/h3-5H,1-2H3
(3)InChIKey: DDJSNWUTQDNGIZ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C9H9BrO2/c1-6-4-3-5-7(10)8(6)9(11)12-2/h3-5H,1-2H3
(5)Std. InChIKey: DDJSNWUTQDNGIZ-UHFFFAOYSA-N

Product Name

Methyl 2-bromo-6-methylbenzoate

Methyl 2-bromo-6-methylbenzoate Specification

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