ChemicalBook--->CAS DataBase List--->63981-22-6

63981-22-6

63981-22-6 Structure

63981-22-6 Structure
IdentificationBack Directory
[Name]

3-(5-nitrofurfurylideneamino)hydantoic acid
[CAS]

63981-22-6
[Synonyms]

Nitrofurantoin related coMpound A
3-(5-nitrofurfurylideneamino)hydantoic acid
2-[1-Carbamoyl-2-(5-nitrofurfurylidene)hydrazino]acetic acid
Nitrofurantoin Related Compound A (20 mg) (N-(Aminocarbonyl)-N-[([5-nitro-2-furanyl]-methylene)-amino]-glycine)
[Molecular Formula]

C8H8N4O6
[MDL Number]

MFCD00514237
[MOL File]

63981-22-6.mol
[Molecular Weight]

256.17
Chemical PropertiesBack Directory
[Melting point ]

234 °C (decomp)
[Boiling point ]

508.1±60.0 °C(Predicted)
[density ]

1.71±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

DMSO (Slightly), Methanol (Slightly, Heated), Water (Very Slightly, Heated)
[form ]

Solid
[pka]

4.02±0.10(Predicted)
[color ]

Light Yellow to Yellow
[Major Application]

pharmaceutical (small molecule)
[InChI]

InChI=1S/C8H8N4O6/c9-8(15)11(4-7(13)14)10-3-5-1-2-6(18-5)12(16)17/h1-3H,4H2,(H2,9,15)(H,13,14)
[InChIKey]

URYZARAFMQWNPZ-UHFFFAOYSA-N
[SMILES]

C(O)(=O)CN(C(N)=O)N=CC1=CC=C([N+]([O-])=O)O1
Hazard InformationBack Directory
[Uses]

3-(5-Nitrofurfurylideneamino)hydantoic Acid, is a new derivative of 5-Nitro-2-furfural, and they are proved to be bactericidal.
Safety DataBack Directory
[WGK Germany ]

WGK 3
[HS Code ]

2932190002
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
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