methyl 5-bromo-2-chlorobenzoate supplier

Name
methyl 5-bromo-2-chlorobenzoate
EINECS
CAS No. 251085-87-7
Article Data10
CAS DataBase
Density 1.605 g/cm³
Solubility
Melting Point 43-44 °C
Formula C₈H₆BrClO₂
Boiling Point 276.043 °C at 760 mmHg
Molecular Weight 249.491
Flash Point 120.747 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloro-5-bromobenzoicacid methyl ester;5-Bromo-2-chlorobenzoic acid methyl ester;
PSA 26.30000
LogP 2.88910

methyl 5-bromo-2-chlorobenzoate Specification

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^-24cm³; (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

Product Name

methyl 5-bromo-2-chlorobenzoate

methyl 5-bromo-2-chlorobenzoate Specification

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