Product Name

  • Name

    5-ACETALDEHYDEYL-4,6-DICHLOROPYRIMIDINE

  • EINECS
  • CAS No. 16019-33-3
  • Article Data20
  • CAS DataBase
  • Density 1.47 g/cm3
  • Solubility
  • Melting Point 89-91 °C(Solv: dichloromethane (75-09-2); heptane (142-82-5))
  • Formula C6H4Cl2N2O
  • Boiling Point 312.714 °C at 760 mmHg
  • Molecular Weight 191.017
  • Flash Point 142.924 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 16019-33-3 (5-ACETALDEHYDEYL-4,6-DICHLOROPYRIMIDINE)
  • Hazard Symbols
  • Synonyms 2-(4,6-Dichloro-5-pyrimidinyl)acetaldehyde;(4,6-Dichloro-pyrimidin-5-yl)-acetaldehyde;4,6-Dichloro-5-pyrimidineacetaldehyde;5-Acetaldehydeyl-4,6-dichloropyrimidine;
  • PSA 42.85000
  • LogP 1.52480

4,6-Dichloro-5-pyrimidineacetaldehyde Specification

The systematic name of 4,6-Dichloro-5-pyrimidineacetaldehyde is 2-(4,6-dichloropyrimidin-5-yl)acetaldehyde. With the CAS registry number 16019-33-3, it is also named as 5-Acetaldehydeyl-4,6-dichloropyrimidine. In addition, its molecular formula is C6H4Cl2N2O and its molecular weight is 191.01.

The other characteristics of 4,6-Dichloro-5-pyrimidineacetaldehyde can be summarized as: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 0.85; (5)H bond acceptors: 3; (6)H bond donors: 0; (7)Freely Rotating Bonds: 2; (8)Polar Surface Area: 42.85 Å2; (9)Index of Refraction: 1.559; (10)Molar Refractivity: 41.96 cm3; (11)Molar Volume: 129.9 cm3; (12)Polarizability: 16.63×10-24cm3; (13)Surface Tension: 54.3 dyne/cm; (14)Density: 1.47 g/cm3; (15)Flash Point: 142.9 °C; (16)Enthalpy of Vaporization: 55.37 kJ/mol; (17)Boiling Point: 312.7 °C at 760 mmHg; (18)Vapour Pressure: 0.00052 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:c1nc(c(c(n1)Cl)CC=O)Cl
(2)InChI:InChI=1/C6H4Cl2N2O/c7-5-4(1-2-11)6(8)10-3-9-5/h2-3H,1H2
(3)InChIKey:QEBITPOSBYZLCY-UHFFFAOYAL
(4)Std. InChI:InChI=1S/C6H4Cl2N2O/c7-5-4(1-2-11)6(8)10-3-9-5/h2-3H,1H2
(5)Std. InChIKey:QEBITPOSBYZLCY-UHFFFAOYSA-N

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