CAS No.107947-17-1,methyl 3-bromo-4-chlorobenzoate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	107947-17-1
Name:	methyl 3-bromo-4-chlorobenzoate
Article Data:	8

Formula:	C₈H₆BrClO₂
Molecular Weight:	249.491
Synonyms:	3-Bromo-4-chlorobenzoic acid methyl ester;Methyl 3-bromo-4-chlorobenzoate;
Density:	1.605 g/cm³
Boiling Point:	279.532 °C at 760 mmHg
Flash Point:	122.857 °C
PSA:	26.30000
LogP:	2.88910

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Specification

The Benzoic acid, 3-bromo-4-chloro-, methyl ester, with the CAS registry number 107947-17-1, is also known as 3-Bromo-4-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 3-bromo-4-chlorobenzoate.

Physical properties of Benzoic acid, 3-bromo-4-chloro-, methyl ester are: (1)ACD/LogP: 2.99; (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): 208; (6)ACD/BCF (pH 7.4): 208; (7)ACD/KOC (pH 5.5): 1587; (8)ACD/KOC (pH 7.4): 1587; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 50.611 cm³; (15)Molar Volume: 155.462 cm³; (16)Polarizability: 20.064×10^-24cm³; (17)Surface Tension: 43.168 dyne/cm; (18)Density: 1.605 g/cm³; (19)Flash Point: 122.857 °C; (20)Enthalpy of Vaporization: 51.822 kJ/mol; (21)Boiling Point: 279.532 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1Br)C(=O)OC
(2)InChI: InChI=1S/C8H6BrClO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,1H3
(3)InChIKey: CLRJXWANIVYEHH-UHFFFAOYSA-N