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5098-11-3

5098-11-3 Structure

5098-11-3 Structure
IdentificationMore
[Name]

5-Amino-1H-imidazol-4-carbonitrile
[CAS]

5098-11-3
[Synonyms]

4(5)-AMINO-1H-IMIDAZOLE-5(4)-CARBONITRILE
4(5)-AMINO-5(4)-CYANOIMIDAZOLE
4-AMINO-5-IMIDAZOLECARBONITRILE
1H-Imidazole-4-carbonitrile,5-amino-(9CI)
4-Amino-1H-imidazole-5-carbonitrile
5-AMINO-1H-IMIDAZOL-4-CARBONITRILE
4-Cyano-5-amino-1H-imidazole
[EINECS(EC#)]

225-816-6
[Molecular Formula]

C4H4N4
[MDL Number]

MFCD00129663
[Molecular Weight]

108.1
[MOL File]

5098-11-3.mol
Chemical PropertiesBack Directory
[Appearance]

Off-White to Pale Yellow Solid
[Melting point ]

131°C
[Boiling point ]

557.7±35.0 °C(Predicted)
[density ]

1.42±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[solubility ]

DMSO, Methanol
[form ]

Solid
[pka]

9.79±0.10(Predicted)
[color ]

Off-White to Pale Yellow
[InChI]

InChI=1S/C4H4N4/c5-1-3-4(6)8-2-7-3/h2H,6H2,(H,7,8)
[InChIKey]

XEPBRDBFOSKYCF-UHFFFAOYSA-N
[SMILES]

C1NC(N)=C(C#N)N=1
[CAS DataBase Reference]

5098-11-3(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S22:Do not breathe dust .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

3439
[WGK Germany ]

3
[HS Code ]

2933.29.9000
[HazardClass ]

6.1
[PackingGroup ]

III
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Hazard InformationBack Directory
[Chemical Properties]

Off-White to Pale Yellow Solid
Spectrum DetailBack Directory
[Spectrum Detail]

5-Amino-1H-imidazol-4-carbonitrile(5098-11-3)MS
5-Amino-1H-imidazol-4-carbonitrile(5098-11-3)1HNMR
5-Amino-1H-imidazol-4-carbonitrile(5098-11-3)13CNMR
5-Amino-1H-imidazol-4-carbonitrile(5098-11-3)IR1
5-Amino-1H-imidazol-4-carbonitrile(5098-11-3)IR2
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

4-Amino-1H-imidazole-5-carbonitrile,>98.0%(GC)(T)(5098-11-3)
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