Product Name

  • Name

    2,4,6-TRICHLORO-PYRIMIDINE-5-CARBALDEHYDE

  • EINECS
  • CAS No. 50270-27-4
  • Article Data39
  • CAS DataBase
  • Density 1.713 g/cm3
  • Solubility Slightly soluble in water.
  • Melting Point 131-132℃
  • Formula C5HCl3N2O
  • Boiling Point 278.592 °C at 760 mmHg
  • Molecular Weight 211.435
  • Flash Point 122.289 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 50270-27-4 (2,4,6-TRICHLORO-PYRIMIDINE-5-CARBALDEHYDE)
  • Hazard Symbols
  • Synonyms 5-Formyl-2,4,6-trichloropyrimidine;
  • PSA 42.85000
  • LogP 2.24930

2,4,6-Trichloro-5-pyrimidinecarboxaldehyde Specification

The 2,4,6-Trichloro-5-pyrimidinecarboxaldehyde is an organic compound with the formula C5HCl3N2O. The IUPAC name of this chemical is 2,4,6-trichloropyrimidine-5-carbaldehyde. With the CAS registry number 50270-27-4, it is also named as 5-Pyrimidinecarboxaldehyde, 2,4,6-trichloro-. The product's category is Pharmacetical; Pyrimidine. In addition, the molecular weight is 211.43. 

The other characteristics of 2,4,6-Trichloro-5-pyrimidinecarboxaldehyde can be summarized as: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 9; (7)ACD/KOC (pH 5.5): 172; (8)ACD/KOC (pH 7.4): 172; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.85 Å2; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 43.873 cm3; (15)Molar Volume: 123.399 cm3; (16)Polarizability: 17.393×10-24 cm3; (17)Surface Tension: 63.421 dyne/cm; (18)Density: 1.713 g/cm3; (19)Flash Point: 122.289 °C; (20)Enthalpy of Vaporization: 51.722 kJ/mol; (21)Boiling Point: 278.592 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:C(=O)c1c(nc(nc1Cl)Cl)Cl
2. InChI:InChI=1/C5HCl3N2O/c6-3-2(1-11)4(7)10-5(8)9-3/h1H
3. InChIKey:KVJIRFGNHAAUNQ-UHFFFAOYAY
4. Std. InChI:InChI=1S/C5HCl3N2O/c6-3-2(1-11)4(7)10-5(8)9-3/h1H
5. Std. InChIKey:KVJIRFGNHAAUNQ-UHFFFAOYSA-N

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