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Benzoic acid,4-(2-bromoethoxy)-, methyl ester

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Name

Benzoic acid,4-(2-bromoethoxy)-, methyl ester

EINECS N/A
CAS No. 56850-91-0 Density 1.431g/cm3
PSA 35.53000 LogP 2.24690
Solubility N/A Melting Point 67-69°C
Formula C10H11BrO3 Boiling Point 333.4 °C at 760 mmHg
Molecular Weight 259.1 Flash Point 155.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 56850-91-0 (METHYL 4-(2-BROMOETHOXY)BENZENECARBOXYLATE) Hazard Symbols IrritantXi
Synonyms

4-(2-Bromoethoxy)benzoicacid methyl ester;Methyl 4-(2-bromoethoxy)benzoate;Methyl4-[(2-bromoethyl)oxy]benzoate;

Article Data 18

Benzoic acid,4-(2-bromoethoxy)-, methyl ester Specification

The Benzoic acid,4-(2-bromoethoxy)-, methyl ester, with CAS registry number 56850-91-0, has the systematic name of methyl 4-(2-bromoethoxy)benzoate. Besides this, it is also called 4-(2-Bromoethoxy)benzoicacid methyl ester. And the chemical formula of this chemical is C10H11BrO3.

Physical properties of Benzoic acid,4-(2-bromoethoxy)-, methyl ester: (1)ACD/LogP: 3.04; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.543; (8)Molar Refractivity: 57.06 cm3; (9)Molar Volume: 181 cm3; (10)Polarizability: 22.62×10-24cm3; (11)Surface Tension: 41.9 dyne/cm; (12)Density: 1.431 g/cm3; (13)Flash Point: 155.4 °C; (14)Enthalpy of Vaporization: 57.62 kJ/mol; (15)Boiling Point: 333.4 °C at 760 mmHg; (16)Vapour Pressure: 0.000137 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ccc(OCCBr)cc1
(2)InChI: InChI=1/C10H11BrO3/c1-13-10(12)8-2-4-9(5-3-8)14-7-6-11/h2-5H,6-7H2,1H3
(3)InChIKey: RVBJPYYTGUCVFR-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C10H11BrO3/c1-13-10(12)8-2-4-9(5-3-8)14-7-6-11/h2-5H,6-7H2,1H3
(5)Std. InChIKey: RVBJPYYTGUCVFR-UHFFFAOYSA-N

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