Boronic acid,(2,4,5-trichlorophenyl)- (9CI) supplier

Name
2,4,5-Trichlorophenylboronic acid
EINECS
CAS No. 220210-55-9
Density 1.6 g/cm³
Solubility
Melting Point
Formula C₆H₄BCl₃O₂
Boiling Point 368.6 °C at 760 mmHg
Molecular Weight 225.2648
Flash Point 176.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,4,5-Trichlorophenylboronicacid;
PSA 40.46000
LogP 1.32660

Boronic acid,(2,4,5-trichlorophenyl)- (9CI) Specification

The Boronic acid,(2,4,5-trichlorophenyl)- (9CI), with CAS registry number 220210-55-9, has the systematic name of (2,4,5-trichlorophenyl)boronic acid. Besides this, it is also called 2,4,5-Trichlorophenylboronicacid. And the chemical formula of this chemical is C₆H₄BCl₃O₂.

Physical properties of Boronic acid,(2,4,5-trichlorophenyl)- (9CI): (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.18; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 152.17; (6)ACD/BCF (pH 7.4): 49.96; (7)ACD/KOC (pH 5.5): 1260.29; (8)ACD/KOC (pH 7.4): 413.75; (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: 176.7 °C; (20)Enthalpy of Vaporization: 64.91 kJ/mol; (21)Boiling Point: 368.6 °C at 760 mmHg; (22)Vapour Pressure: 4.41E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(B(O)O)c(Cl)cc1Cl
(2)InChI: InChI=1/C6H4BCl3O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2,11-12H
(3)InChIKey: FTLYMKDSHNWQKD-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C6H4BCl3O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2,11-12H
(5)Std. InChIKey: FTLYMKDSHNWQKD-UHFFFAOYSA-N

Product Name

2,4,5-Trichlorophenylboronic acid

Boronic acid,(2,4,5-trichlorophenyl)- (9CI) Specification

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