3,4,5-Trichlorophenylboronic acid supplier

Name
(3,4,5-Trichlorophenyl)boronic acid
EINECS
CAS No. 862248-93-9
Density 1.6 g/cm³
Solubility
Melting Point
Formula C₆H₄BCl₃O₂
Boiling Point 379.1 °C at 760 mmHg
Molecular Weight 225.267
Flash Point 183.1 °C
Transport Information
Appearance white powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Boronicacid, (3,4,5-trichlorophenyl)- (9CI);(3,4,5-Trichlorophenyl)boronic acid;boronic acid, B-(3,4,5-trichlorophenyl)-;
PSA 40.46000
LogP 1.32660

3,4,5-Trichlorophenylboronic acid Specification

The Boronic acid,B-(3,4,5-trichlorophenyl)-, with the CAS registry number 862248-93-9, is also called (3,4,5-Trichlorophenyl)boronic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₆H₄BCl₃O₂.

The characteristics of Boronic acid,B-(3,4,5-trichlorophenyl)- are as followings: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 2.07 ; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 40.46 Å²; (9)Index of Refraction: 1.594; (10)Molar Refractivity: 47.77 cm³; (11)Molar Volume: 140.6 cm³; (12)Polarizability: 18.93×10^-24cm³; (13)Surface Tension: 55 dyne/cm; (14)Density: 1.6 g/cm³; (15)Flash Point: 183.1 °C; (16)Enthalpy of Vaporization: 66.15 kJ/mol; (17)Boiling Point: 379.1 °C at 760 mmHg; (18)Vapour Pressure: 2.01E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(cc(Cl)c1Cl)B(O)O
(2)InChI: InChI=1/C6H4BCl3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,11-12H
(3)InChIKey: KTEXVCMJBYWOSG-UHFFFAOYAM

Product Name

(3,4,5-Trichlorophenyl)boronic acid

3,4,5-Trichlorophenylboronic acid Specification

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