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CAS No.: | 57486-69-8 |
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Name: | METHYL 2-(2-BROMOPHENYL)ACETATE |
Article Data: | 54 |
Molecular Structure: | |
Formula: | C9H9BrO2 |
Molecular Weight: | 229.073 |
Synonyms: | (2-Bromophenyl)aceticacid methyl ester;2-Bromobenzeneacetic acid methyl ester;Methyl(2-bromophenyl)acetate;Methyl o-bromophenylacetate; |
Density: | 1.445 g/cm3 |
Boiling Point: | 264.073 °C at 760 mmHg |
Flash Point: | 113.508 °C |
Hazard Symbols: | Xi |
PSA: | 26.30000 |
LogP: | 2.16460 |
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The CAS register number of Benzeneacetic acid,2-bromo-, methyl ester is 57486-69-8. It also can be called as 2-Bromobenzeneacetic acid methyl ester and the systematic name about this chemical is methyl (2-bromophenyl)acetate. The molecular formula about this chemical is C9H9BrO2 and the molecular weight is 229.07. It belongs to the following product categories which include Blocks; Bromides; Carboxes; Aromatic Building Blocks and so on.
Physical properties about Benzeneacetic acid,2-bromo-, methyl ester are: (1)ACD/LogP: 2.68; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 71; (5)ACD/BCF (pH 7.4): 71; (6)ACD/KOC (pH 5.5): 735; (7)ACD/KOC (pH 7.4): 735; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3Å2; (11)Index of Refraction: 1.543; (12)Molar Refractivity: 49.9 cm3; (13)Molar Volume: 158.424 cm3; (14)Polarizability: 19.782x10-24cm3; (15)Surface Tension: 40.187 dyne/cm; (16)Enthalpy of Vaporization: 50.193 kJ/mol; (17)Boiling Point: 264.073 °C at 760 mmHg; (18)Vapour Pressure: 0.01 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccccc1CC(=O)OC
(2)InChI: InChI=1/C9H9BrO2/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3
(3)InChIKey: AMVCFIFDMKEIRE-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C9H9BrO2/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3
(5)Std. InChIKey: AMVCFIFDMKEIRE-UHFFFAOYSA-N