Name: 2,3,4-Trichlorophenylboronic acid
SKU: 352530-21-3

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Basic Information

Molecular Structure:
CAS No.:	352530-21-3
Name:	2,3,4-Trichlorophenylboronic acid

Formula:	C₆H₄BCl₃O₂
Molecular Weight:	225.267
Synonyms:	Boronic acid,(2,3,4-trichlorophenyl)- (9CI);(2,3,4-Trichlorophenyl)boronic acid;2,3,4-Trichlorobenzeneboronic acid;
Density:	1.6 g/cm³
Boiling Point:	374.4 °C at 760 mmHg
Flash Point:	180.2 °C
Hazard Symbols:	Xi
Risk Codes:	41
Safety:	26-39
PSA:	40.46000
LogP:	1.32660

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Specification

The Boronic acid,(2,3,4-trichlorophenyl)-, with the CAS registry number 352530-21-3, is also known as 2,3,4-Trichlorobenzeneboronic acid. It belongs to the product categories of Blocks; Boronic Acids; Boric Acid; Boronic Acid. This chemical's molecular formula is C₆H₄BCl₃O₂ and molecular weight is 225.26. What's more, its systematic name is (2,3,4-trichlorophenyl)boronic acid.

Physical properties of Boronic acid,(2,3,4-trichlorophenyl)- are: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.13; (4)ACD/LogD (pH 7.4): 2.64; (5)ACD/BCF (pH 5.5): 138.78; (6)ACD/BCF (pH 7.4): 45.56; (7)ACD/KOC (pH 5.5): 1179.83; (8)ACD/KOC (pH 7.4): 387.33; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 47.77 cm³; (15)Molar Volume: 140.6 cm³; (16)Polarizability: 18.93×10^-24cm³; (17)Surface Tension: 55 dyne/cm; (18)Density: 1.6 g/cm³; (19)Flash Point: 180.2 °C; (20)Enthalpy of Vaporization: 65.59 kJ/mol; (21)Boiling Point: 374.4 °C at 760 mmHg; (22)Vapour Pressure: 2.86E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(B(O)O)ccc(Cl)c1Cl
(2)Std. InChI: InChI=1S/C6H4BCl3O2/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,11-12H
(3)Std. InChIKey: MXFWEDVDGXOVRT-UHFFFAOYSA-N