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5-Bromo-6-methylpyrimidin-4-ol

  • Name 5-Bromo-6-methylpyrimidin-4-ol
  • EINECSN/A
  • CAS No. 3438-52-6
  • Density1.84 g/cm3
  • PSA46.01000
  • LogP1.25310
  • SolubilityN/A
  • Melting Point269 °C(Solv: water (7732-18-5))
  • FormulaC5H5BrN2O
  • Boiling Point225.5 °C at 760 mmHg
  • Molecular Weight189.011
  • Flash Point90.1 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 3438-52-6 (5-Bromo-6-methylpyrimidin-4-ol)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data5

5-Bromo-6-methylpyrimidin-4-ol Specification

The CAS registry number of 5-Bromo-6-methylpyrimidin-4-ol is 3438-52-6. In addition, the formula is C5H5BrN2O and the molecular weight is 189.01. The IUPAC name is 5-Bromo-6-methylpyrimidin-4(1H)-one. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about 5-Bromo-6-methylpyrimidin-4-ol are: (1)ACD/LogP: -0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.44; (4)ACD/LogD (pH 7.4): -0.61; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.76; (8)ACD/KOC (pH 7.4): 9.24; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 32.67 Å2; (13)Index of Refraction: 1.648; (14)Molar Refractivity: 37.36 cm3; (15)Molar Volume: 102.6 cm3; (16)Polarizability: 14.81 ×10-24cm3; (17)Surface Tension: 50.6 dyne/cm; (18)Density: 1.84 g/cm3; (19)Flash Point: 90.1 °C; (20)Enthalpy of Vaporization: 46.2 kJ/mol; (21)Boiling Point: 225.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0863 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Br\C1=C(\N\C=N/C1=O)C
(2)Std. InChI: InChI=1S/C5H5BrN2O/c1-3-4(6)5(9)8-2-7-3/h2H,1H3,(H,7,8,9)
(3)Std. InChIKey: BIJQLSJJQJIFCL-UHFFFAOYSA-N

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