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CAS No.: | 56850-91-0 |
---|---|
Name: | METHYL 4-(2-BROMOETHOXY)BENZENECARBOXYLATE |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C10H11BrO3 |
Molecular Weight: | 259.1 |
Synonyms: | 4-(2-Bromoethoxy)benzoicacid methyl ester;Methyl 4-(2-bromoethoxy)benzoate;Methyl4-[(2-bromoethyl)oxy]benzoate; |
Density: | 1.431g/cm3 |
Melting Point: | 67-69°C |
Boiling Point: | 333.4 °C at 760 mmHg |
Flash Point: | 155.4 °C |
Hazard Symbols: | Xi |
PSA: | 35.53000 |
LogP: | 2.24690 |
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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