-
Name
METHYL 2-(2-BROMOPHENYL)ACETATE
- EINECS
- CAS No. 57486-69-8
- Article Data54
- CAS DataBase
- Density 1.445 g/cm3
- Solubility
- Melting Point
- Formula C9H9BrO2
- Boiling Point 264.073 °C at 760 mmHg
- Molecular Weight 229.073
- Flash Point 113.508 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
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Hazard Symbols
Xi
- Synonyms (2-Bromophenyl)aceticacid methyl ester;2-Bromobenzeneacetic acid methyl ester;Methyl(2-bromophenyl)acetate;Methyl o-bromophenylacetate;
- PSA 26.30000
- LogP 2.16460
Benzeneacetic acid,2-bromo-, methyl ester Specification
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
Related Products
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- Benzeneacetic acid, 2-bromo-5-methoxy-, methyl ester
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- Benzeneacetic acid, 2-cyano-, methyl ester
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- 57-48-7
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- 57497-13-9
- 57497-39-9
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