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Cas Database |
| Name |
Methyl 5-bromo-2-methylbenzoate |
EINECS | N/A |
| CAS No. | 79669-50-4 | Density | 1.433 g/cm3 |
| PSA | 26.30000 | LogP | 2.54410 |
| 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 | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
o-Toluicacid, 5-bromo-, methyl ester (6CI);5-Bromo-2-methylbenzoic acid methyl ester;Methyl 3-bromo-6-methylbenzoate;NSC 243705; |
Article Data | 34 |
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 C9H9BrO2 and 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
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