Benzoic acid,3-(2-bromoethoxy)-, methyl ester supplier

Name
METHYL 3-(2-BROMOETHOXY)BENZENECARBOXYLATE
EINECS
CAS No. 59516-96-0
Article Data10
CAS DataBase
Density 1.431 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₁BrO₃
Boiling Point 324.835 °C at 760 mmHg
Molecular Weight 259.1
Flash Point 150.255 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36
Molecular Structure
Hazard Symbols Xi
Synonyms Methyl 3-(2-bromoethoxy)benzoate;
PSA 35.53000
LogP 2.24690

Benzoic acid,3-(2-bromoethoxy)-, methyl ester Specification

The Benzoic acid, 3-(2-bromoethoxy)-, methyl ester, with the CAS registry number of 59516-96-0, is also known as Methyl 3-(2-bromoethoxy)benzenecarboxylate. This chemical's molecular formula is C₁₀H₁₁BrO₃ and molecular weight is 259.1. What's more, its systematic name is called Methyl 3-(2-bromoethoxy)benzoate.

Physical properties about Benzoic acid, 3-(2-bromoethoxy)-, methyl ester are: (1)ACD/LogP: 3.36; (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): 86; (6)ACD/BCF (pH 7.4): 86; (7)ACD/KOC (pH 5.5): 844; (8)ACD/KOC (pH 7.4): 844; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 57.069 cm³; (15)Molar Volume: 181.017 cm³; (16)Surface Tension: 41.962 dyne/cm; (17)Density: 1.431 g/cm³; (18)Flash Point: 150.255 °C; (19)Enthalpy of Vaporization: 56.69 kJ/mol; (20)Boiling Point: 324.835 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)c1cc(OCCBr)ccc1
(2) InChI: InChI=1/C10H11BrO3/c1-13-10(12)8-3-2-4-9(7-8)14-6-5-11/h2-4,7H,5-6H2,1H3
(3) InChIKey: CGGLKWTURIUCMN-UHFFFAOYAT

Product Name

METHYL 3-(2-BROMOETHOXY)BENZENECARBOXYLATE

Benzoic acid,3-(2-bromoethoxy)-, methyl ester Specification

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