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