3-Chloro-4-hydroxyphenylboronic acid supplier

Name
3-Chloro-4-hydroxyphenylboronic acid
EINECS
CAS No. 182344-13-4
Article Data3
CAS DataBase
Density 1.49 g/cm³
Solubility
Melting Point 223-228°C
Formula C₆H₆BClO₃
Boiling Point 360.6 °C at 760 mmHg
Molecular Weight 172.376
Flash Point 171.9 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, (3-chloro-4-hydroxyphenyl)- (9CI);3-Chloro-4-hydroxyphenylboronic acid;(3-chloro-4-hydroxyphenyl)boronic acid;(3-Chloro-4-hydroxyphenyl)boronic acid;boronic acid, B-(3-chloro-4-hydroxyphenyl)-;
PSA 60.69000
LogP -0.27460

3-Chloro-4-hydroxyphenylboronic acid Specification

The 3-Chloro-4-hydroxyphenylboronic acid, with the cas registry number 182344-13-4, has the systematic name of (3-chloro-4-hydroxyphenyl)boronic acid. It belongs to the product categories of Blocks and Boronic Acids. The is a kind of irritant chemical, and should keep cold. The molecular formula of the chemical is C₆H₆BClO₃.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.41; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 6.9; (6)ACD/BCF (pH 7.4): 4.68; (7)ACD/KOC (pH 5.5): 138.41; (8)ACD/KOC (pH 7.4): 94.03; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 60.69 Å²; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 39.64 cm³; (15)Molar Volume: 115.5 cm³; (16)Polarizability: 15.71×10^-24cm³; (17)Surface Tension: 61.9 dyne/cm; (18)Density: 1.49 g/cm³; (19)Flash Point: 171.9 °C; (20)Enthalpy of Vaporization: 63.97 kJ/mol; (21)Boiling Point: 360.6 °C at 760 mmHg; (22)Vapour Pressure: 7.91E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Oc1ccc(cc1Cl)B(O)O
(2)InChI: InChI=1/C6H6BClO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9-11H
(3)InChIKey: WWQIKFZZILXJHG-UHFFFAOYAG

Product Name

3-Chloro-4-hydroxyphenylboronic acid

3-Chloro-4-hydroxyphenylboronic acid Specification

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