ChemicalBook--->CAS DataBase List--->3680-71-5

3680-71-5

3680-71-5 Structure

3680-71-5 Structure
IdentificationMore
[Name]

Pyrrolo[2,3-d]pyrimidin-4-ol
[CAS]

3680-71-5
[Synonyms]

1,7-DIHYDRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE
3H-PYRROLO[2,3-D]PYRIMIDIN-4(7H)-ONE
4-HYDROXYPYRROLO[2,3-D]PYRIMIDINE
7-DEAZA-6-HYDROXY PURINE
7-DEAZAHYPOXANTHINE
7H-PYRROLO[2,3-D]PYRIMIDIN-4-OL
1,7-dihydro-4h-pyrrolo(2,3-d)pyrimidin-4-one
3-d)pyrimidin-4-one,1,7-dihydro-4h-pyrrolo(
4H-Pyrrolo[2,3-d]pyrimidin-4-one, 1,7-dihydro-(9CI)
4-HYDROXY-4H-PYRROLO[2,3-D]PYRIMIDINE
7-Deaza-6-hydroxy
PYRROLO[2,3-D]PYRIMIDIN-4-OL
7-DEAZAHYPOXANTHINE,99%
1,7-Dihydro-pyrrolo[2,3-d]pyrimidin -4-one
3,7-Dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
[EINECS(EC#)]

640-613-6
[Molecular Formula]

C6H5N3O
[MDL Number]

MFCD01686814
[Molecular Weight]

135.12
[MOL File]

3680-71-5.mol
Chemical PropertiesBack Directory
[Appearance]

Colourless Crystalline Solid
[Melting point ]

345-348°C
[Boiling point ]

473.1±18.0 °C(Predicted)
[density ]

1.62±0.1 g/cm3(Predicted)
[RTECS ]

UY9440000
[storage temp. ]

2-8°C
[solubility ]

Soluble in dimethyl sulfoxide.
[form ]

Solid
[pka]

11.99±0.20(Predicted)
[color ]

Brown
[Sensitive ]

Moisture & Light Sensitive
[InChI]

InChI=1S/C6H5N3O/c10-6-4-1-2-7-5(4)8-3-9-6/h1-3H,(H2,7,8,9,10)
[InChIKey]

FBMZEITWVNHWJW-UHFFFAOYSA-N
[SMILES]

C1NC(=O)C2C=CNC=2N=1
[CAS DataBase Reference]

3680-71-5(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H317-H319
[Precautionary statements ]

P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36-43
[Safety Statements ]

26-36/37
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29335990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Sens. 1
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium-->Potassium carbonate-->Ammonium chloride-->Ethyl cyanoacetate-->Thiourea-->Sodium iodide-->Bromoacetaldehyde diethyl acetal-->Raney nickel
[Preparation Products]

4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-->7H-Pyrrolo[2,3-d]pyrimidine-->5-iodo-7-Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-aMine-->4-chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine-->7H-Pyrrolo[2,3-d]pyrimidine, 7-methyl- (9CI)
Hazard InformationBack Directory
[Chemical Properties]

Colourless Crystalline Solid
[Uses]

Xanthine oxidase-activated prodrug of thymidine phosphorylase inhibitor
Spectrum DetailBack Directory
[Spectrum Detail]

Pyrrolo[2,3-d]pyrimidin-4-ol(3680-71-5)1HNMR
Pyrrolo[2,3-d]pyrimidin-4-ol(3680-71-5)FT-IR
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