Benzeneacetic acid, 2-bromo-5-methoxy-, methyl ester supplier

Name
Benzeneacetic acid, 2-bromo-5-methoxy-, methyl ester
EINECS
CAS No. 117565-90-9
Article Data10
CAS DataBase
Density 1.42 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₁BrO₃
Boiling Point 309.006 °C at 760 mmHg
Molecular Weight 259.1
Flash Point 140.682 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl (2-bromo-5-methoxyphenyl)acetate;
PSA 35.53000
LogP 2.17320

Benzeneacetic acid, 2-bromo-5-methoxy-, methyl ester Specification

The Benzeneacetic acid, 2-bromo-5-methoxy-, methyl ester has the CAS registry number 117565-90-9. This chemical's molecular formula is C₁₀H₁₁BrO₃ and molecular weight is 259.1. What's more, its systematic name is methyl (2-bromo-5-methoxyphenyl)acetate.

Physical properties of Benzeneacetic acid, 2-bromo-5-methoxy-, methyl ester are: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 96; (6)ACD/BCF (pH 7.4): 96; (7)ACD/KOC (pH 5.5): 916; (8)ACD/KOC (pH 7.4): 916; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 56.578 cm³; (15)Molar Volume: 182.427 cm³; (16)Polarizability: 22.429×10^-24cm³; (17)Surface Tension: 38.886 dyne/cm; (18)Density: 1.42 g/cm³; (19)Flash Point: 140.682 °C; (20)Enthalpy of Vaporization: 54.973 kJ/mol; (21)Boiling Point: 309.006 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(OC)cc1CC(=O)OC
(2)InChI: InChI=1S/C10H11BrO3/c1-13-8-3-4-9(11)7(5-8)6-10(12)14-2/h3-5H,6H2,1-2H3
(3)InChIKey: IGZZCVJQEPJTNK-UHFFFAOYSA-N

Product Name

Benzeneacetic acid, 2-bromo-5-methoxy-, methyl ester

Benzeneacetic acid, 2-bromo-5-methoxy-, methyl ester Specification

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