Product Name

  • Name

    5-Amino-2-chloropyrimidine

  • EINECS
  • CAS No. 56621-90-0
  • Article Data16
  • CAS DataBase
  • Density 1.437 g/cm3
  • Solubility
  • Melting Point 198-199℃
  • Formula C4H4ClN3
  • Boiling Point 338.8 °C at 760 mmHg
  • Molecular Weight 129.549
  • Flash Point 158.7 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37/39-22
  • Risk Codes 22-36-36/37/38
  • Molecular Structure Molecular Structure of 56621-90-0 (5-Amino-2-chloropyrimidine)
  • Hazard Symbols Xn
  • Synonyms 2-Chloro-5-pyrimidinamine;2-Chloropyrimidin-5-amine;
  • PSA 51.80000
  • LogP 1.29340

5-Amino-2-chloropyrimidine Specification

The CAS registry number of 5-Amino-2-chloropyrimidine is 56621-90-0. The IUPAC name is 2-chloropyrimidin-5-amine. In addition, the molecular formula is C4H4ClN3 and the molecular weight is 129.55. What's more, it belongs to the classes of Amines; Pyrimidines & Pyridazines; Building Blocks. And it should be stored in a cool and dry place.

Physical properties about 5-Amino-2-chloropyrimidine are: (1)ACD/LogP: 0.13; (2)ACD/LogD (pH 5.5): 0.13; (3)ACD/LogD (pH 7.4): 0.13; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 27.96; (7)ACD/KOC (pH 7.4): 27.97; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 51.8 Å2; (12)Index of Refraction: 1.617; (13)Molar Refractivity: 31.56 cm3; (14)Molar Volume: 90.1 cm3; (15)Polarizability: 12.51 ×10-24cm3; (16)Surface Tension: 66.4 dyne/cm; (17)Density: 1.437 g/cm3; (18)Flash Point: 158.7 °C; (19)Enthalpy of Vaporization: 58.22 kJ/mol; (20)Boiling Point: 338.8 °C at 760 mmHg; (21)Vapour Pressure: 9.59E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cnc(Cl)nc1
(2)InChI: InChI=1/C4H4ClN3/c5-4-7-1-3(6)2-8-4/h1-2H,6H2
(3)InChIKey: DZBKIOJXVOECRA-UHFFFAOYAE

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