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5,6-dichloropyrimidin-4-amine

  • Name 5,6-dichloropyrimidin-4-amine
  • EINECSN/A
  • CAS No. 310400-38-5
  • Density1.606 g/cm3
  • PSA51.80000
  • LogP1.94680
  • SolubilitySlightly soluble in water.
  • Melting PointN/A
  • FormulaC4H3Cl2N3
  • Boiling Point301.8 °C at 760 mmHg
  • Molecular Weight163.994
  • Flash Point136.3 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety26-39
  • Risk Codes41
  • Molecular Structure
    Molecular Structure of 310400-38-5 (5,6-dichloropyrimidin-4-amine)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data2

5,6-dichloropyrimidin-4-amine Specification

The 5,6-dichloropyrimidin-4-amine, with the CAS registry number 310400-38-5, has the systematic name of 5,6-dichloropyrimidin-4-amine. It belongs to the product category of Halide. And the molecular formula of the chemical is C4H3Cl2N3.

The characteristics of 5,6-dichloropyrimidin-4-amine are as followings: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.89; (4)ACD/LogD (pH 7.4): 1.89; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 51.8 Å2; (9)Index of Refraction: 1.633; (10)Molar Refractivity: 36.46 cm3; (11)Molar Volume: 102 cm3; (12)Polarizability: 14.45×10-24cm3; (13)Surface Tension: 68 dyne/cm; (14)Density: 1.606 g/cm3; (15)Flash Point: 136.3 °C; (16)Enthalpy of Vaporization: 54.19 kJ/mol; (17)Boiling Point: 301.8 °C at 760 mmHg; (18)Vapour Pressure: 0.00103 mmHg at 25°C.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1nc(c(c(n1)Cl)Cl)N
(2)InChI: InChI=1/C4H3Cl2N3/c5-2-3(6)8-1-9-4(2)7/h1H,(H2,7,8,9)
(3)InChIKey: ISTJUVRUUBNZNB-UHFFFAOYAI

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