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13737-37-6

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Basic Information
CAS No.: 13737-37-6
Name: Methyl 2-Bromomethyl Phenylacetate
Article Data: 12
Molecular Structure:
Molecular Structure of 13737-37-6 (Methyl 2-Bromomethyl Phenylacetate)
Formula: C10H11BrO2
Molecular Weight: 243.1
Synonyms: Aceticacid, (a-bromo-o-tolyl)-, methyl ester(8CI);Methyl 2-(2-bromomethylphenyl)acetate;Methyl 2-(bromomethyl)benzeneacetate;Methyl 2-bromomethylphenylacetate;
EINECS: 1533716-785-6
Density: 1.416 g/cm3
Boiling Point: 283.968 °C at 760 mmHg
Flash Point: 125.539 °C
PSA: 26.30000
LogP: 2.29700
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Specification

The Benzeneacetic acid,2-(bromomethyl)-, methyl ester is an organic compound with the formula C10H11BrO2. The systematic name of this chemical is methyl [2-(bromomethyl)phenyl]acetate. With the CAS registry number 13737-37-6, it is also named as Methyl 2-(bromomethyl)benzeneacetate.

Physical properties about Benzeneacetic acid,2-(bromomethyl)-, methyl ester are: (1)ACD/LogP: 2.50; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 77; (5)ACD/BCF (pH 7.4): 77; (6)ACD/KOC (pH 5.5): 779; (7)ACD/KOC (pH 7.4): 779; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.552; (12)Molar Refractivity: 54.858 cm3; (13)Molar Volume: 171.732 cm3; (14)Polarizability: 21.747×10-24cm3; (15)Surface Tension: 42.059 dyne/cm; (16)Density: 1.416 g/cm3; (17)Flash Point: 125.539 °C; (18)Enthalpy of Vaporization: 52.292 kJ/mol; (19)Boiling Point: 283.968 °C at 760 mmHg; (20)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1ccccc1CC(=O)OC
(2)InChI: InChI=1/C10H11BrO2/c1-13-10(12)6-8-4-2-3-5-9(8)7-11/h2-5H,6-7H2,1H3
(3)InChIKey: BRAHRRYCGOLXPW-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C10H11BrO2/c1-13-10(12)6-8-4-2-3-5-9(8)7-11/h2-5H,6-7H2,1H3
(5)Std. InChIKey: BRAHRRYCGOLXPW-UHFFFAOYSA-N