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Basic information

  • Name:
  • 4,6-Dihydroxypyrimidine

  • CAS No.:
  • 1193-24-4

  • Molecular Structure:
  • Formula:
  • C4H4N2O2
  • Molecular Weight:
  • 112.09
  • Deleted CAS:
  • 18337-68-3
  • Synonyms:
  • 6-hydroxy-1H-pyrimidin-4-one;4,6-Dihydroxypyrimidine(DHP);4 (1H)-Pyrimidinone, 6-hydroxy-;4(3H)-Pyrimidinone, 6-hydroxy-;6-hydroxy-3H-pyrimidin-4-one;4,6-Pyrimidinediol;4,6-Dihydroxy pyrimidine 98%;
  • EINECS:
  • 214-772-3
  • Melting Point:
  • >300 °C(lit.)
  • Boiling Point:
  • 358.5 °C at 760 mmHg
  • Flash Point:
  • 170.6 °C
  • Solubility:
  • 2.5 g/L (20 °C)
  • Appearance:
  • pale yellow crystals
  • Hazard Symbols:
  • IrritantXi
  • Risk Codes:
  • 36/37/38
  • Safety Description:
  • 26-36-37/39 Details
  • particular:
  • particular

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Chemistry

IUPAC Name: 4-hydroxy-1H-pyrimidin-6-one 
Empirical Formula: C4H4N2O2
Molecular Weight: 112.0868g/mol 
EINECS: 214-772-3 
Structure of 4,6-Dihydroxypyrimidine (CAS NO.1193-24-4):

Index of Refraction: 1.648
Molar Refractivity: 26.23 cm3
Molar Volume: 72 cm3
Polarizability: 10.4×10-24cm3
Surface Tension: 65.3 dyne/cm
Density: 1.55 g/cm3
Flash Point: 170.6 °C
Enthalpy of Vaporization: 62.78 kJ/mol 
Melting Point: >300 °C(lit.)
Boiling Point: 358.5 °C at 760 mmHg
Vapour Pressure: 1.22E-05 mmHg at 25°C 
Water Solubility: 2.5 g/L (20 º C)
 Product Categories: PYRIMIDINE;FINE Chemical & INTERMEDIATES;APIs & Intermediate;Nucleotides and Nucleosides;Pyrimidines;Bases & Related Reagents;Nucleotides 
Canonical SMILES: C1=C(N=CNC1=O)O
InChI: InChI=1S/C4H4N2O2/c7-3-1-4(8)6-2-5-3/h1-2H,(H2,5,6,7,8)
InChIKey: DUFGYCAXVIUXIP-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

pic-esc 1 g/L

    ZAPOAK    Zeitschrift fuer Allgemeine Mikrobiologie. Morphologie, Physiologie, Genetik und Oekologie der Mikroorganismen. 12 (1972),583.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 1
RTECS: UW7523000
Hazard Note: Irritant
HS Code 29335995
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.

Specification

  4,6-Dihydroxypyrimidine , its cas register number is 1193-24-4. It also can be called 4(3H)-Pyrimidinone, 6-hydroxy- ; 4,6-Dihydroxypyrimidin ; 4,6-Pyrimidinediol ; 6-Hydroxy-4(1H)-pyrimidinone ; NSC 22838 . 4,6-Dihydroxypyrimidine (CAS NO.1193-24-4) is a light yellow powder.

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