Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzeneacetic acid,2-(bromomethyl)-, methyl ester |
EINECS | 1533716-785-6 |
CAS No. | 13737-37-6 | Density | 1.416 g/cm3 |
PSA | 26.30000 | LogP | 2.29700 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H11BrO2 | Boiling Point | 283.968 °C at 760 mmHg |
Molecular Weight | 243.1 | Flash Point | 125.539 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Aceticacid, (a-bromo-o-tolyl)-, methyl ester(8CI);Methyl 2-(2-bromomethylphenyl)acetate;Methyl 2-(bromomethyl)benzeneacetate;Methyl 2-bromomethylphenylacetate; |
Article Data | 12 |
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