Boronic acid,B-(2-chloro-5-cyano-3-pyridinyl)- supplier

Name
2-Chloro-5-cyanopyridin-3-ylboronic acid
EINECS
CAS No. 957060-96-7
Density 1.5 g/cm³
Solubility
Melting Point 238-241℃
Formula C₆H₄BClN₂O₂
Boiling Point 399.6 °C at 760 mmHg
Molecular Weight 182.3722
Flash Point 195.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2-chloro-5-cyano-3-pyridyl)boronic acid;
PSA 77.14000
LogP -0.71352

Boronic acid,B-(2-chloro-5-cyano-3-pyridinyl)- Specification

The CAS registry number of Boronic acid,B-(2-chloro-5-cyano-3-pyridinyl)- is 957060-96-7. The IUPAC name of this chemical is (2-chloro-5-cyano-3-pyridyl)boronic acid. In addition, the formula is C₆H₄BClN₂O₂ and the molecular weight is 182.3722. It belongs to the classes of Blocks; BoronicAcids; Pyridines.

Physical properties about Boronic acid,B-(2-chloro-5-cyano-3-pyridinyl)- are: (1)ACD/LogP: 0.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.03; (4)#H bond acceptors: 4; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 77.14 Å²; (8)Index of Refraction: 1.582; (9)Molar Refractivity: 40.48 cm³; (10)Molar Volume: 121.1 cm³; (11)Polarizability: 16.04 ×10^-24cm³; (12)Surface Tension: 71.3 dyne/cm; (13)Density: 1.5 g/cm³; (14)Flash Point: 195.5 °C; (15)Enthalpy of Vaporization: 68.59 kJ/mol; (16)Boiling Point: 399.6 °C at 760 mmHg; (17)Vapour Pressure: 4.2E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(cnc1Cl)C#N)(O)O
(2)InChI: InChI=1/C6H4BClN2O2/c8-6-5(7(11)12)1-4(2-9)3-10-6/h1,3,11-12H
(3)InChIKey: JOXTUWQJEBJZEK-UHFFFAOYAM

Product Name

2-Chloro-5-cyanopyridin-3-ylboronic acid

Boronic acid,B-(2-chloro-5-cyano-3-pyridinyl)- Specification

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