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CAS No.: | 251085-87-7 |
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Name: | methyl 5-bromo-2-chlorobenzoate |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C8H6BrClO2 |
Molecular Weight: | 249.491 |
Synonyms: | 2-Chloro-5-bromobenzoicacid methyl ester;5-Bromo-2-chlorobenzoic acid methyl ester; |
Density: | 1.605 g/cm3 |
Melting Point: | 43-44 °C |
Boiling Point: | 276.043 °C at 760 mmHg |
Flash Point: | 120.747 °C |
PSA: | 26.30000 |
LogP: | 2.88910 |
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The Benzoic acid,5-bromo-2-chloro-, methyl ester, with the CAS registry number 251085-87-7, is also known as 5-Bromo-2-chlorobenzoic acid methyl ester. This chemical's molecular formula is C8H6BrClO2 and molecular weight is 249.49. What's more, its systematic name is Methyl 5-bromo-2-chlorobenzoate and it belongs to the product categories of Acids & Esters; Bromine Compounds; Chlorine Compounds.
Physical properties of Benzoic acid,5-bromo-2-chloro-, methyl ester are: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.564; (8)Molar Refractivity: 50.61 cm3; (9)Molar Volume: 155.4 cm3; (10)Polarizability: 20.06×10-24 cm3; (11)Surface Tension: 43.1 dyne/cm; (12)Density: 1.604 g/cm3; (13)Flash Point: 120.7 °C; (14)Enthalpy of Vaporization: 51.45 kJ/mol; (15)Boiling Point: 276 °C at 760 mmHg; (16)Vapour Pressure: 0.00491 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(C(=O)OC)cc(Br)cc1
(2)InChI: InChI=1/C8H6BrClO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3
(3)InChIKey: DOVGGQQIXPPXDC-UHFFFAOYSA-N