ChemicalBook--->CAS DataBase List--->16357-69-0

16357-69-0

16357-69-0 Structure

16357-69-0 Structure
IdentificationMore
[Name]

4-AMINOPYRIMIDINE-5-CARBONITRILE
[CAS]

16357-69-0
[Synonyms]

4-AMINO-5-CYANOPYRIMIDINE
4-AMINO-5-PYRIMIDINECARBONITRILE
4-AMINOPYRIMIDINE-5-CARBONITRILE
BUTTPARK 77\12-50
2-Amino-5-cyanopyrimidine
5-Pyrimidinecarbonitrile, 4-amino-(6CI,7CI,8CI,9CI)
4-Aminopyrimidine-5-carbonitrile, (4-Amino-5-cyanopyrimidine)
4-Aminopyrimidine-5-carbonitrile ,97%
[Molecular Formula]

C5H4N4
[MDL Number]

MFCD00054552
[Molecular Weight]

120.11
[MOL File]

16357-69-0.mol
Chemical PropertiesBack Directory
[Melting point ]

251-255 °C(lit.)
[Boiling point ]

355.8±27.0 °C(Predicted)
[density ]

1.34±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

DCM, DMSO, DMF, Methanol
[form ]

Powder
[pka]

2.60±0.10(Predicted)
[color ]

Brown
[Sensitive ]

Moisture Sensitive
[Detection Methods]

HPLC
[InChI]

1S/C5H4N4/c6-1-4-2-8-3-9-5(4)7/h2-3H,(H2,7,8,9)
[InChIKey]

JAIYUIOGVNRXEW-UHFFFAOYSA-N
[SMILES]

Nc1ncncc1C#N
[CAS DataBase Reference]

16357-69-0(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
R43:May cause sensitization by skin contact.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN3439
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29335990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Sodium-->Malononitrile-->Formamidine acetate
[Preparation Products]

5-Pyrimidinecarboxaldehyde, 4,6-diamino- (9CI)
Hazard InformationBack Directory
[Chemical Properties]

White to brown solid
[Uses]

4-Amino-5-pyrimidinecarbonitrile may be used as a monodentate ligand to prepare metal complexes of Co(II), Ni(II), Cu(II) and Pd(II) ions. It may be used as a reactant to prepare 1H-pyrimido[4,5-d]pyrimidine-2,4-dione.
[General Description]

4-Amino-5-pyrimidinecarbonitrile (APC) is a pyrimidine derivative that has been synthesized via three-component reaction between benzaldehyde, benzamidine hydrochloride and malononitrile. The infrared, 1H NMR, 13C NMR and mass spectra of APC have been recorded.
Spectrum DetailBack Directory
[Spectrum Detail]

4-AMINOPYRIMIDINE-5-CARBONITRILE(16357-69-0)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Aminopyrimidine-5-carbonitrile, 97%(16357-69-0)
[Alfa Aesar]

4-Aminopyrimidine-5-carbonitrile, 97%(16357-69-0)
[Sigma Aldrich]

16357-69-0(sigmaaldrich)
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