Boronic acid,B-(2-chloro-3-cyano-4-pyridinyl)- supplier

Name
2-CHLORO-3-CYANOPYRIDIN-4-YLBORONIC ACID
EINECS
CAS No. 878194-88-8
Article Data2
CAS DataBase
Density 1.5 g/cm³
Solubility
Melting Point
Formula C₆H₄BClN₂O₂
Boiling Point 459.5 °C at 760 mmHg
Molecular Weight 182.374
Flash Point 231.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Boronicacid, (2-chloro-3-cyano-4-pyridinyl)- (9CI);
PSA 77.14000
LogP -0.71352

Boronic acid,B-(2-chloro-3-cyano-4-pyridinyl)- Specification

The Boronic acid,B-(2-chloro-3-cyano-4-pyridinyl)-, with CAS registry number 878194-88-8, has the systematic name of (2-chloro-3-cyano-4-pyridyl)boronic acid. Besides this, it is also called 2-Chloro-3-cyanopyridin-4-ylboronic acid. And the chemical formula of this chemical is C₆H₄BClN₂O₂.

Physical properties of Boronic acid,B-(2-chloro-3-cyano-4-pyridinyl)-: (1)ACD/LogP: 0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.4; (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: 231.7 °C; (15)Enthalpy of Vaporization: 75.87 kJ/mol; (16)Boiling Point: 459.5 °C at 760 mmHg; (17)Vapour Pressure: 3.07E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c(ccnc1Cl)B(O)O
(2)InChI: InChI=1/C6H4BClN2O2/c8-6-4(3-9)5(7(11)12)1-2-10-6/h1-2,11-12H
(3)InChIKey: MSPLECXGTZJQHF-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C6H4BClN2O2/c8-6-4(3-9)5(7(11)12)1-2-10-6/h1-2,11-12H
(5)Std. InChIKey: MSPLECXGTZJQHF-UHFFFAOYSA-N

Product Name

2-CHLORO-3-CYANOPYRIDIN-4-YLBORONIC ACID

Boronic acid,B-(2-chloro-3-cyano-4-pyridinyl)- Specification

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