Product Name

  • Name

    5-CYANOPYRIMIDINE

  • EINECS
  • CAS No. 40805-79-6
  • Article Data18
  • CAS DataBase
  • Density 1.226 g/cm3
  • Solubility
  • Melting Point 83.5-84 °C(Solv: ethanol (64-17-5))
  • Formula C5H3N3
  • Boiling Point 237.641 °C at 760 mmHg
  • Molecular Weight 105.1
  • Flash Point 93.784 °C
  • Transport Information
  • Appearance
  • Safety 26-24/25
  • Risk Codes 36
  • Molecular Structure Molecular Structure of 40805-79-6 (5-CYANOPYRIMIDINE)
  • Hazard Symbols
  • Synonyms 5-Cyanopyrimidine;
  • PSA 49.57000
  • LogP 0.34828

5-Cyanopyrimidine Specification

The 5-Cyanopyrimidine, with CAS registry number 40805-79-6, belongs to the following product category: Pyrimidine. Its systematic name and its IUPAC name are the same, which is pyrimidine-5-carbonitrile. And the chemical formula of this chemical is C5H3N3.

Physical properties of 5-Cyanopyrimidine: (1)ACD/LogP: -0.50; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 49.57 Å2; (7)Index of Refraction: 1.541; (8)Molar Refractivity: 26.917 cm3; (9)Molar Volume: 85.713 cm3; (10)Polarizability: 10.671×|10-24cm3; (11)Surface Tension: 65.802 dyne/cm; (12)Enthalpy of Vaporization: 47.447 kJ/mol; (13)Vapour Pressure: 0.044 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cncnc1
(2)InChI: InChI=1/C5H3N3/c6-1-5-2-7-4-8-3-5/h2-4H
(3)InChIKey: XVIAPHVAGFEFFN-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C5H3N3/c6-1-5-2-7-4-8-3-5/h2-4H
(5)Std. InChIKey: XVIAPHVAGFEFFN-UHFFFAOYSA-N

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View