Product Name

  • Name

    4,6-difluoropyrimidine

  • EINECS
  • CAS No. 2802-62-2
  • Article Data7
  • CAS DataBase
  • Density 1.376 g/cm3
  • Solubility
  • Melting Point
  • Formula C4H2F2N2
  • Boiling Point 124.8 °C at 760 mmHg
  • Molecular Weight 116.07
  • Flash Point 29.3 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37/39
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 2802-62-2 (4,6-difluoropyrimidine)
  • Hazard Symbols IrritantXi
  • Synonyms 4,6-Difluoropyrimidine;
  • PSA 25.78000
  • LogP 0.75480

4,6-difluoropyrimidine Specification

The Pyrimidine, 4, 6-difluoro- has CAS registry number 2802-62-2. It belongs to the product categories of Pyrimidine; Pyridines, Pyrimidines, Purines and Pteredines. This chemical's molecular formula is C4H2F2N2 and molecular weight is 116.07. What's more, its IUPAC name is 4, 6-Difluoropyrimidine.

Physical properties about Pyrimidine, 4, 6-difluoro- are: (1)ACD/LogP: -0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.19; (4)ACD/LogD (pH 7.4): -0.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18.72; (8)ACD/KOC (pH 7.4): 18.72; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 22.42 cm3; (15)Molar Volume: 84.3 cm3; (16)Polarizability: 8.88×10-24 cm3; (17)Surface Tension: 38.3 dyne/cm; (18)Density: 1.376 g/cm3; (19)Flash Point: 29.3 °C; (20)Enthalpy of Vaporization: 34.77 kJ/mol; (21)Boiling Point: 124.8 °C at 760 mmHg; (22)Vapour Pressure: 15.2 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, you should wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ncnc(F)c1
(2) InChI: InChI=1/C4H2F2N2/c5-3-1-4(6)8-2-7-3/h1-2H
(3) InChIKey: MCLDVUCSDZGNRR-UHFFFAOYAR

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