Product Name

  • Name

    2-Pyridinecarbonitrile,4-bromo-,1-oxide(9CI)

  • EINECS
  • CAS No. 62150-44-1
  • Density 1.688 g/cm3
  • Solubility
  • Melting Point
  • Formula C6H3BrN2O
  • Boiling Point 403.118 °C at 760 mmHg
  • Molecular Weight 199.00
  • Flash Point 197.599 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 62150-44-1 (2-Pyridinecarbonitrile,4-bromo-,1-oxide(9CI))
  • Hazard Symbols
  • Synonyms 2-Pyridinecarbonitrile,4-bromo-,1-oxide;
  • PSA 49.25000
  • LogP 1.74928

4-Bromo-2-cyanopyridine 1-oxide Specification

The 4-Bromo-2-cyanopyridine 1-oxide, with the CAS registry number 62150-44-1, has the systematic name of 4-bromo-1-oxido-pyridin-1-ium-2-carbonitrile. It belongs to the product category of Pyridine. And the molecular formula of the chemical is C6H3BrN2O.

The characteristics of 4-Bromo-2-cyanopyridine 1-oxide are as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 6.642; (5)ACD/KOC (pH 7.4): 6.642; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 49.25 Å2; (10)Index of Refraction: 1.63; (11)Molar Refractivity: 41.923 cm3; (12)Molar Volume: 117.86 cm3; (13)Polarizability: 16.62×10-24cm3; (14)Surface Tension: 55.504 dyne/cm; (15)Density: 1.688 g/cm3; (16)Flash Point: 197.599 °C; (17)Enthalpy of Vaporization: 65.437 kJ/mol; (18)Boiling Point: 403.118 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1c[n+](c(cc1Br)C#N)[O-]
(2)InChI: InChI=1/C6H3BrN2O/c7-5-1-2-9(10)6(3-5)4-8/h1-3H
(3)InChIKey: CLCFCWRGARDMIV-UHFFFAOYAB

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