Methyl 5-bromo-2-methylbenzoate supplier

Name
methyl 5-bromo-2-methyl-benzoate
EINECS
CAS No. 79669-50-4
Article Data34
CAS DataBase
Density 1.433 g/cm³
Solubility Soluble in water.
Melting Point 46.0 to 50.0 °C
Formula C₉H₉BrO₂
Boiling Point 258.9 °C at 760 mmHg
Molecular Weight 229.073
Flash Point 110.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms o-Toluicacid, 5-bromo-, methyl ester (6CI);5-Bromo-2-methylbenzoic acid methyl ester;Methyl 3-bromo-6-methylbenzoate;NSC 243705;
PSA 26.30000
LogP 2.54410

Methyl 5-bromo-2-methylbenzoate Specification

The CAS register number of Methyl 5-bromo-2-methylbenzoate is 79669-50-4. It also can be called as Methyl 5-bromo-o-toluate and the IUPAC name about this chemical is methyl 5-bromo-2-methylbenzoate. The molecular formula about this chemical is C₉H₉BrO₂and the molecular weight is 229.07.

Physical properties about Methyl 5-bromo-2-methylbenzoate are: (1)ACD/LogP: 3.34; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 26.3Å²; (5)Index of Refraction: 1.545; (6)Molar Refractivity: 50.54 cm³; (7)Molar Volume: 159.7 cm³; (8)Polarizability: 20.03x10^-24cm³; (9)Surface Tension: 39.3 dyne/cm; (10)Enthalpy of Vaporization: 49.65 kJ/mol; (11)Boiling Point: 258.9 °C at 760 mmHg; (12)Vapour Pressure: 0.0134 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(C(=O)OC)c(cc1)C
(2)InChI: InChI=1/C9H9BrO2/c1-6-3-4-7(10)5-8(6)9(11)12-2/h3-5H,1-2H3
(3)InChIKey: FDCYLMYCHALQJR-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C9H9BrO2/c1-6-3-4-7(10)5-8(6)9(11)12-2/h3-5H,1-2H3
(5)Std. InChIKey: FDCYLMYCHALQJR-UHFFFAOYSA-N

Product Name

methyl 5-bromo-2-methyl-benzoate

Methyl 5-bromo-2-methylbenzoate Specification

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