Basic Information | Post buying leads | Suppliers |
Name |
Boronicacid, B-(2-chloro-5-hydroxyphenyl)- |
EINECS | N/A |
CAS No. | 913835-71-9 | Density | 1.49g/cm3 |
PSA | 60.69000 | LogP | -0.27460 |
Solubility | N/A | Melting Point |
263-265°C |
Formula | C6H6BClO3 | Boiling Point | 404.2 °C at 760 mmHg |
Molecular Weight | 172.376 | Flash Point | 198.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-39 | Risk Codes | 41 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Boronicacid, (2-chloro-5-hydroxyphenyl)- (9CI);2-Chloro-5-hydroxyphenylboronic acid; |
The Boronicacid, B-(2-chloro-5-hydroxyphenyl)-, with CAS registry number 913835-71-9, belongs to the following product categories: (1)Blocks; (2)BoronicAcids. It has the systematic name of (2-chloro-5-hydroxy-phenyl)boronic acid. And the chemical formula of this chemical is C6H6BClO3. This chemical should be kept cold.
Physical properties of Boronicacid, B-(2-chloro-5-hydroxyphenyl)-: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 1.73; (5)#H bond acceptors: 3; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 60.69 Å2; (9)Index of Refraction: 1.602; (10)Molar Refractivity: 39.64 cm3; (11)Molar Volume: 115.5 cm3; (12)Polarizability: 15.71×10-24cm3; (13)Surface Tension: 61.9 dyne/cm; (14)Enthalpy of Vaporization: 69.14 kJ/mol; (15)Vapour Pressure: 2.93E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(ccc1Cl)O)(O)O
(2)InChI: InChI=1/C6H6BClO3/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,9-11H
(3)InChIKey: SLAPQAZQRNMJLC-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C6H6BClO3/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,9-11H
(5)Std. InChIKey: SLAPQAZQRNMJLC-UHFFFAOYSA-N