Product Name

  • Name

    4,5,6-Trifluoropyrimidine

  • EINECS
  • CAS No. 17573-78-3
  • Article Data6
  • CAS DataBase
  • Density 1.514 g/cm3
  • Solubility
  • Melting Point
  • Formula C4HF3N2
  • Boiling Point 135.4 °C at 760 mmHg
  • Molecular Weight 134.061
  • Flash Point 35.7 °C
  • Transport Information
  • Appearance
  • Safety 26
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 17573-78-3 (4,5,6-Trifluoropyrimidine)
  • Hazard Symbols IrritantXi
  • Synonyms 4,5,6-Trifluoropyrimidine;4,5,6-trifluoropyrimidine;
  • PSA 25.78000
  • LogP 0.89390

4,5,6-Trifluoropyrimidine Specification

The 4,5,6-Trifluoropyrimidine, with the CAS registry number 17573-78-3, has the systematic name of 4,5,6-trifluoropyrimidine. It belongs to the following product categories: Pyrimidine; Pyrimidines Building Blocks; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; PyrimidinesHeterocyclic Building Blocks; Pyrroles. And the molecular formula of the chemical is C4HF3N2.

The characteristics of 4,5,6-Trifluoropyrimidine are as followings: (1)ACD/LogP: -0.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.07; (4)ACD/LogD (pH 7.4): -0.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 21.85; (8)ACD/KOC (pH 7.4): 21.85; (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: 1.42; (14)Molar Refractivity: 22.41 cm3; (15)Molar Volume: 88.5 cm3; (16)Polarizability: 8.88×10-24cm3; (17)Surface Tension: 36 dyne/cm; (18)Density: 1.514 g/cm3; (19)Flash Point: 35.7 °C; (20)Enthalpy of Vaporization: 35.74 kJ/mol; (21)Boiling Point: 135.4 °C at 760 mmHg; (22)Vapour Pressure: 9.56 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1ncnc(F)c1F
(2)InChI: InChI=1/C4HF3N2/c5-2-3(6)8-1-9-4(2)7/h1H
(3)InChIKey: AQKOJKCYBNUFLU-UHFFFAOYAU

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