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Purine

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Name Purine EINECS 204-421-2
CAS No. 120-73-0 Density 1.473 g/cm3
Solubility 400 g/L (20 °C) in water Melting Point 214-217 °C(lit.)
Formula C5H4N4 Boiling Point 424.03 °C at 760 mmHg
Molecular Weight 120.13 Flash Point 225.367 °C
Transport Information Appearance very slightly yellow to cream crystalline powder
Safety 22-24/25 Risk Codes Xi
Molecular Structure Molecular Structure of 120-73-0 (Purine) Hazard Symbols
Synonyms

1H-Purine(9CI);Purine (6CI,8CI);3,5,7-Triazaindole;3H-Imidazo[4,5-d]pyrimidine;6H-Imidazo[4,5-d]pyrimidine;7H-Purine;Isopurine;NSC 753;b-Purine;

 

Chemistry


IUPAC Name: 7H-Purine
Molecular formula: C5H4N4
Molecular Weight: 120.11 g/mol
Canonical SMILES: C1=C2C(=NC=N1)N=CN2
InChI: InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
EINECS: 204-421-2
Classification Code: Mutation data; Tumor data
Melting Point: 214-217 °C(lit.)
storage temperatyre: 2-8 °C
Water Solubility: 400 g/L (20 °C)
Index of Refraction: 1.737
Molar Refractivity: 32.8 cm3
Molar Volume: 81.5 cm3
Surface Tension: 92.8 dyne/cm
Density: 1.472 g/cm3
Flash Point: 225.4 °C
Enthalpy of Vaporization: 65.22 kJ/mol
Boiling Point: 424 °C at 760 mmHg
Vapour Pressure of Purine (CAS NO.120-73-0): 5.27E-07 mmHg at 25 °C

History

The name 'Purine' (purum uricum) was coined by the German chemist Emil Fischer in 1884. He synthesized it for the first time in 1899.The starting material for the reaction sequence was uric acid , which had been isolated from kidney stones by Scheele in 1776.Uric acid was reacted with PCl5 to give 2,6,8-trichloropurine, which was converted with HI and PH4I to give 2,6-diiodopurine. This latter product was reduced to purine using zinc-dust.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 unreported 400mg/kg (400mg/kg) BLOOD: CHANGES IN BONE MARROW NOT INCLUDED ABOVE Progress in Medical Chemistry. Vol. 7, Pg. 69, 1970.
rat LD50 intraperitoneal 800mg/kg (800mg/kg)   Advances in Teratology. Vol. 3, Pg. 181, 1968.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Poison by intraperitoneal route. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Safety Statements: 22-24/25 
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: UO7450000

Specification

  Purine (CAS NO.120-73-0), its Synonyms are 1H-Purine ; 3,5,7-Triazaindole ; 6H-Imidazo(4,5-d)pyrimidine ; 7H-Imidazo(4,5-d)pyrimidine ; 7H-Purine ; 9H-Purine ; Imidazo(4,5-d)pyrimidine ; Isopurine . It is very slightly yellow to cream crystalline powder.

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