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Name Purine
EINECS204-421-2
CAS No. 120-73-0
Density1.473 g/cm³
PSA54.46000
LogP0.35290
Solubility400 g/L (20 °C) in water
Melting Point214-217 °C(lit.)
FormulaC₅H₄N₄
Boiling Point424.03 °C at 760 mmHg
Molecular Weight120.114
Flash Point225.367 °C
Transport InformationN/A
Appearancevery slightly yellow to cream crystalline powder
Safety22-24/25
Risk CodesXi
Molecular Structure
Hazard SymbolsN/A
SynonymsN/A
Article Data67

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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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;

: 5404-86-4
6-hydrazinyl-7H-purine

: 74-89-5
methylamine

A: 120-73-0
purine

B: 66224-66-6, 66224-67-7, 66224-68-8, 66224-69-9, 134434-48-3, 134434-49-4, 134454-76-5, 134461-75-9
adenine

C: 443-72-1
N-methyladenine

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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 cm³Surface 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 NO_x.
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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Product Name

Purine

Purine Synthetic route

Purine Chemical Properties

Purine History

Purine Toxicity Data With Reference

Purine Consensus Reports

Purine Safety Profile

Purine Specification

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