2-Chloro-5-nitrophenylboronic acid supplier

Name
2-CHLORO-5-NITROBENZENEBORONIC ACID 97
EINECS
CAS No. 867333-29-7
Density 1.54 g/cm³
Solubility
Melting Point 236-238 °C
Formula C₆H₅BClNO₄
Boiling Point 392.9 °C at 760 mmHg
Molecular Weight 201.374
Flash Point 191.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, (2-chloro-5-nitrophenyl)- (9CI);2-Chloro-5-nitrophenylboronic acid;
PSA 86.28000
LogP 0.45120

2-Chloro-5-nitrophenylboronic acid Specification

The Boronic acid,B-(2-chloro-5-nitrophenyl)-, with the CAS registry number 867333-29-7, has the systematic name of (2-chloro-5-nitro-phenyl)boronic acid. It belongs to the product categories of Blocks and Boronic Acids. And the molecular formula of the chemical is C₆H₅BClNO₄.

The characteristics of Boronic acid,B-(2-chloro-5-nitrophenyl)- are as followings: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 1.13; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 86.28 Å²; (9)Index of Refraction: 1.592; (10)Molar Refractivity: 44.14 cm³; (11)Molar Volume: 130.3 cm³; (12)Polarizability: 17.5×10^-24cm³; (13)Surface Tension: 62.1 dyne/cm; (14)Density: 1.54 g/cm³; (15)Flash Point: 191.4 °C; (16)Enthalpy of Vaporization: 67.78 kJ/mol; (17)Boiling Point: 392.9 °C at 760 mmHg; (18)Vapour Pressure: 7.08E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OB(O)c1cc(ccc1Cl)[N+]([O-])=O
(2)InChI: InChI=1/C6H5BClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3,10-11H
(3)InChIKey: KNFHCUNPMBSLRK-UHFFFAOYAR

Product Name

2-CHLORO-5-NITROBENZENEBORONIC ACID 97

2-Chloro-5-nitrophenylboronic acid Specification

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