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Hydantoin

  • Name Hydantoin
  • EINECS207-313-3
  • CAS No. 461-72-3
  • Density1.357 g/cm3
  • PSA58.20000
  • LogP-0.51660
  • Solubilityslightly soluble in water
  • Melting Point218-220 °C(lit.)
  • FormulaC3H4N2O2
  • Boiling Point246.4°C at 760 mmHg
  • Molecular Weight100.077
  • Flash Point102.8°C
  • Transport InformationN/A
  • AppearanceWhite solid
  • Safety24/25-36/37/39-27-26
  • Risk Codes36/37/38
  • Molecular Structure
    Molecular Structure of 461-72-3 (Hydantoin)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data88

Hydantoin Consensus Reports

Reported in EPA TSCA Inventory.

Hydantoin Specification

The Hydantoin, with the CAS registry number 461-72-3, is also known as Imidazole-2,4(3H,5H)-dione. It belongs to the product categories of Pharmaceutical Intermediates; Fine Chemical & Intermediates; Chemical Amines; Amines; Heterocycles; Building Blocks; Heterocyclic Building Blocks; Imidazolines/Imidazolidines; Chemical Synthesis. Its EINECS number is 207-313-3. This chemical's molecular formula is C3H4N2O2 and molecular weight is 100.08. What's more, its systematic name is 2,4-Imidazolidinedione. Its classification codes are: (1)Antifoulant; (2)Antimicrobial; (3)Human Data; (4)Reproductive Effect; (5)Slimicide. This chemical should be sealed and stored in a ventilated and dry place. Moreover, it should be protected from oxides. This chemical is a heterocyclic organic compound that can be thought of as a cyclic "double-condensation reaction" product of glycolic acid and urea. It is used in the fields of chemical industry, pharmaceutical industry, textile and biochemistry.

Physical properties of Hydantoin are: (1)ACD/LogP: -0.976; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.98; (4)ACD/LogD (pH 7.4): -1.01; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 7.01; (8)ACD/KOC (pH 7.4): 6.49; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 58.2 Å2; (13)Index of Refraction: 1.476; (14)Molar Refractivity: 20.792 cm3; (15)Molar Volume: 73.777 cm3; (16)Polarizability: 8.243×10-24cm3; (17)Surface Tension: 41.6 dyne/cm; (18)Density: 1.357 g/cm3.

Preparation: this chemical can be prepared by hydantoic acid ethyl ester. This reaction will need reagent sodium methoxide and solvent methanol. The yield is about 85%.

Hydantoin can be prepared by hydantoic acid ethyl ester

Uses of Hydantoin: it can be used to produce 1-nitro-imidazolidine-2,4-dioneat the ambient temperature. It will need reagent NO2OSO2CF3 and solvent CH2Cl2 with the reaction time of 1 hour. The yield is about 69.2%.

Hydantoin can be used to produce 1-nitro-imidazolidine-2,4-dioneat the ambient temperature

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You must take off immediately all contaminated clothing. When using it, you need wear suitable protective clothing, gloves and eye/face protection, and you must avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NC(=O)NC1
(2)Std. InChI: InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)
(3)Std. InChIKey: WJRBRSLFGCUECM-UHFFFAOYSA-N  

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