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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
PSA 54.46000 LogP 0.35290
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 120.114 Flash Point 225.367 °C
Transport Information N/A 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 N/A
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;

Article Data 67

Purine Synthetic route

50-44-2

6-mercaptopurine

A

120-73-0

purine

B

68-94-0

hypoxanthine

C

25023-39-6

purine-6-sulfonic acid

Conditions
ConditionsYield
With oxygen In tert-butyl alcohol for 0.166667h; Irradiation; other solvent: AcOH;A 20%
B 58%
C n/a
With oxygen In tert-butyl alcohol for 0.166667h; Product distribution; Quantum yield; Irradiation; other solvents: acetic acid, H2O, D2O; other objects of study: effects of adding H2O, NaN3, thiourea, hydroquinone;A 20%
B 58%
C n/a
With oxygen In acetic acid for 0.166667h; Irradiation; other solvent: t-BuOH;A 36%
B 17%
C n/a

1-aminopurinium mesitylenesulfonates

120-73-0

purine

Conditions
ConditionsYield
With ammonia In methanol at 50℃; for 5h; Product distribution; Mechanism; ANRORC mechanism determined by reaction with 15N labelled ammonia; var. temp. and time;40%
13754-19-3

4,5-pyrimidinediamine

124-38-9

carbon dioxide

120-73-0

purine

Conditions
ConditionsYield
With phenylsilane; 1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene at 70℃; for 24h; Reagent/catalyst;28%
With N,N′-bis(2,6-diisopropylphenyl)imidazol-2-ylidene hydrochloride; phenylsilane In tetrahydrofuran at 70℃; under 750.075 - 2250.23 Torr; for 24h; Schlenk technique; Inert atmosphere; Glovebox;
Conditions
ConditionsYield
In methanol at 100℃; for 17h;A 10%
B 15%
C 25%
109-99-9

tetrahydrofuran

290-87-9

1,3,5-Triazine

13754-19-3

4,5-pyrimidinediamine

120-73-0

purine

123-91-1

1,4-dioxane

290-87-9

1,3,5-Triazine

13754-19-3

4,5-pyrimidinediamine

120-73-0

purine

Conditions
ConditionsYield
unter Stickstoff;
290-87-9

1,3,5-Triazine

13754-19-3

4,5-pyrimidinediamine

68-12-2, 33513-42-7

N,N-dimethyl-formamide

120-73-0

purine

Conditions
ConditionsYield
unter Stickstoff;
290-87-9

1,3,5-Triazine

13754-19-3

4,5-pyrimidinediamine

71-43-2

benzene

120-73-0

purine

290-87-9

1,3,5-Triazine

13754-19-3

4,5-pyrimidinediamine

120-73-0

purine

13754-19-3

4,5-pyrimidinediamine

64-18-6

formic acid

120-73-0

purine

Conditions
ConditionsYield
at 210℃;
at 210℃; und Erwaermen des Reaktionsprodukts mit CaCO3 in Aethanol;
at 210℃;

Purine Chemical Properties


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

Purine 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.

Purine 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.

Purine Consensus Reports

EPA Genetic Toxicology Program.

Purine 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

Purine 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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