4-Bromomethyl-3-chlorobenzoic acid supplier

Name
4-BROMOMETHYL-3-CHLOROBENZOIC ACID
EINECS
CAS No. 467442-07-5
Article Data3
CAS DataBase
Density 1.739 g/cm³
Solubility
Melting Point
Formula C₈H₆BrClO₂
Boiling Point 352.4 °C at 760 mmHg
Molecular Weight 249.491
Flash Point 166.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoic acid, 4-(bromomethyl)-3-chloro-;
PSA 37.30000
LogP 2.93310

4-Bromomethyl-3-chlorobenzoic acid Specification

The 4-(Bromomethyl)-3-chlorobenzoic acid, with the CAS registry number 467442-07-5, is also known as Benzoic acid, 4-(bromomethyl)-3-chloro-. This chemical's molecular formula is C₈H₆BrClO₂ and molecular weight is 249.49. What's more, its systematic name is called 4-(Bromomethyl)-3-chlorobenzoic acid.

Physical properties about 4-(Bromomethyl)-3-chlorobenzoic acid are: (1)ACD/LogP: 3.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 0.57; (5)ACD/BCF (pH 5.5): 5.62; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 37.91; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 50.72 cm³; (15)Molar Volume: 143.4 cm³; (16)Surface Tension: 57.1 dyne/cm; (17)Density: 1.739 g/cm³; (18)Flash Point: 166.9 °C; (19)Enthalpy of Vaporization: 63.02 kJ/mol; (20)Boiling Point: 352.4 °C at 760 mmHg; (21)Vapour Pressure: 1.43E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCc1ccc(cc1Cl)C(O)=O
(2) InChI: InChI=1/C8H6BrClO2/c9-4-6-2-1-5(8(11)12)3-7(6)10/h1-3H,4H2,(H,11,12)
(3) InChIKey: QUKWHRILDXJHEI-UHFFFAOYAI

Product Name

4-BROMOMETHYL-3-CHLOROBENZOIC ACID

4-Bromomethyl-3-chlorobenzoic acid Specification

Related Products

Hot Products