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616-03-5

616-03-5 Structure

616-03-5 Structure
IdentificationMore
[Name]

5-Methylhydantoin
[CAS]

616-03-5
[Synonyms]

5-METHYLHYDANTOIN
5-METHYLIMIDAZOLIDINE-2,4-DIONE
DL-5-METHYLHYDANTOIN
5-Methyl-2,4-imidazolidinedione
Hydantoin, 5-methyl-
5-Methylhydantoin,98%
(S)-5-Methylhydantoin
5-METHYLHYDANTION
[Molecular Formula]

C4H6N2O2
[MDL Number]

MFCD00022398
[Molecular Weight]

114.1
[MOL File]

616-03-5.mol
Chemical PropertiesBack Directory
[Appearance]

White Crystalline Solid
[Melting point ]

148-152 °C(lit.)
[Boiling point ]

213.59°C (rough estimate)
[density ]

1.3565 (rough estimate)
[refractive index ]

1.4487 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Methanol (Slightly), Water (Slightly)
[form ]

Solid
[pka]

8.91±0.10(Predicted)
[color ]

White
[Water Solubility ]

Insoluble in water.
[BRN ]

81081
[InChI]

1S/C4H6N2O2/c1-2-3(7)6-4(8)5-2/h2H,1H3,(H2,5,6,7,8)
[InChIKey]

VMAQYKGITHDWKL-UHFFFAOYSA-N
[SMILES]

CC1NC(=O)NC1=O
[CAS DataBase Reference]

616-03-5(CAS DataBase Reference)
[NIST Chemistry Reference]

2,4-Imidazolidinedione, 5-methyl-(616-03-5)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[HS Code ]

2933210090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

White Crystalline Solid
[Uses]

5-Methylhydantoin is a derivative of Hydantoin (H675000), a heterocyclic compound used to synthesis various pharmaceutical goods including anticonvulsants such as fosphenytoin (F728900).
[Uses]

5-Methylhydantoin is usede as a reactant for preparation of N-chlorohydantoin, Mitsunobu reaction, Pseudomonas putida strain allowing conversion into L-amino acids, D-hydantoinase from Agrobacteria tumefaceins and enzymatic racemization.
[Definition]

ChEBI: 5-methylimidazolidine-2,4-dione is an imidazolidine-2,4-dione.
Spectrum DetailBack Directory
[Spectrum Detail]

5-Methylhydantoin(616-03-5)MS
5-Methylhydantoin(616-03-5)1HNMR
5-Methylhydantoin(616-03-5)13CNMR
5-Methylhydantoin(616-03-5)IR1
5-Methylhydantoin(616-03-5)IR2
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

5-Methylhydantoin, 98%(616-03-5)
[Sigma Aldrich]

616-03-5(sigmaaldrich)
[TCI AMERICA]

5-Methylhydantoin,>98.0%(T)(616-03-5)
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