ChemSpider 2D Image | 2-Chloro-5-cyanopyridine-3-boronic acid | C6H4BClN2O2

2-Chloro-5-cyanopyridine-3-boronic acid

  • Molecular FormulaC6H4BClN2O2
  • Average mass182.372 Da
  • Monoisotopic mass182.005432 Da
  • ChemSpider ID21472688

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2-Chlor-5-cyan-3-pyridinyl)borsäure [German] [ACD/IUPAC Name]
(2-Chloro-5-cyano-3-pyridinyl)boronic acid [ACD/IUPAC Name]
(2-chloro-5-cyanopyridin-3-yl)boronic acid
2-Chloro-5-cyanopyridine-3-boronic acid
957060-96-7 [RN]
Acide (2-chloro-5-cyano-3-pyridinyl)boronique [French] [ACD/IUPAC Name]
B-(2-Chloro-5-cyano-3-pyridinyl)boronic acid
Boronic acid, B-(2-chloro-5-cyano-3-pyridinyl)- [ACD/Index Name]
(2-Chloro-5-cyanopyridin-3-yl)boronicacid
2-chloro-5-cyanopyridin-3-ylboronic acid
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BB-3819 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      22-36/37/38 Alfa Aesar H52503
      26-36/37-60 Alfa Aesar H52503
      H302-H315-H319-H335 Alfa Aesar H52503
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar H52503
      Warning Alfa Aesar H52503
      WARNING: Irritates skin and eyes, harmful if swallowed Alfa Aesar H52503

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 399.6±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 195.5±30.7 °C
Index of Refraction: 1.583
Molar Refractivity: 40.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.49
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.52
ACD/LogD (pH 7.4): -1.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 77 Å2
Polarizability: 16.0±0.5 10-24cm3
Surface Tension: 71.3±5.0 dyne/cm
Molar Volume: 121.1±5.0 cm3

Click to predict properties on the Chemicalize site


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