1,3-Dichloro-5,5-dimethylhydantoin

Base Information

• Chemical Name: 1,3-Dichloro-5,5-dimethylhydantoin
• CAS No.: 118-52-5
• Deprecated CAS: 55945-60-3
• Molecular Formula: C5H6Cl2N2O2
• Molecular Weight: 197.021
• Hs Code.: 2933.21 Oral rat LD50: 542 mg/kg
• European Community (EC) Number: 204-258-7
• NSC Number: 38630,33307
• UN Number: 1479
• UNII: 70H8B2WWTU
• DSSTox Substance ID: DTXSID4024985
• Nikkaji Number: J5.299J
• Wikidata: Q20963665
• ChEMBL ID: CHEMBL1899986
• Mol file: 118-52-5.mol

Synonyms:1,3-dichloro-5,5-dimethylhydantoin;dantoin;dichlorantin

Chemical Property of 1,3-Dichloro-5,5-dimethylhydantoin

Chemical Property:

• Appearance/Colour: White powder with a weak chlorine odor
• Vapor Pressure: 0.153mmHg at 25°C
• Melting Point: 131-136 °C
• Refractive Index: 1.572
• Boiling Point: 214.7 °C at 760 mmHg
• PKA: -3.44±0.40(Predicted)
• Flash Point: 83.7 °C
• PSA: 40.62000
• Density: 1.58 g/cm³
• LogP: 1.21260
• Storage Temp.: Store below +30°C.
• Sensitive.: Moisture Sensitive
• Solubility.: water: soluble0.21% at 25°C(lit.)
• Water Solubility.: 0.21 g/100 mL (25 ºC)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 195.9806328
• Heavy Atom Count: 11
• Complexity: 229
• Transport DOT Label: Oxidizer

Purity/Quality:

99% ^*data from raw suppliers

1,3-Dichloro-5,5-dimethylhydantoin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,C,O,N
• Hazard Codes: Xn,C,O,N
• Statements: 22-36/37/38-34-8-50-43-31-20/21/22
• Safety Statements: 26-36-45-36/37/39-17-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Nitrogen Compounds
• Canonical SMILES: CC1(C(=O)N(C(=O)N1Cl)Cl)C
• Physical properties: White powder or four-sided crystals from chloroform with a chlorine-like odor. Aqueous solutions are acidic.
• Uses: Chlorinating agent; disinfectant; laundry bleach; in water treatment; intermediate for drugs; insecticides; polymerization catalyst Dantoin(R) DCDMH is an industrial bleaching agent based on dimethyl hydantoin. This product finds application wherever solid bleach is desired. Dantoin(R) DCDMH LD (low dust) is an industrial bleaching agent based on dimethyl hydantoin. This product finds application wherever solid bleach is desired.

Technology Process of 1,3-Dichloro-5,5-dimethylhydantoin

There total 5 articles about 1,3-Dichloro-5,5-dimethylhydantoin which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.72%

5,5-dimethyl-imidazolidine-2,4-dione (77-71-4) → 1,3-dichloro-5,5-dimethylhydantoin (118-52-5)

Guidance literature:

5,5-dimethyl-imidazolidine-2,4-dione; With sodium carbonate; at 20 ℃; for 6h;

With chlorine; In tetrahydrofuran; ethyl acetate; at 100 ℃; for 7h; Concentration; Microwave irradiation;

Reference yield:

sodium cyanide (143-33-9,25596-52-5) + acetone (67-64-1) → 1,3-dichloro-5,5-dimethylhydantoin (118-52-5)

Guidance literature:

With water; anschliessend mit wss. NaOH und Chlor;

Reference yield:

5,5-dimethyl-imidazolidine-2,4-dione (77-71-4) → 1,3-dichloro-5,5-dimethylhydantoin (118-52-5)

Guidance literature:

With chlorine;

upstream raw materials:

5,5-dimethyl-imidazolidine-2,4-dione

sodium cyanide

acetone

(1-Cyan-1-methylethyl)harnstoff

Downstream raw materials:

4-chloro-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one

1-chloro-2-methoxynaphthalene

ethyl-(1-chloro-[2]naphthyl)-ether

2,5-dimethoxybenzyl chloride

Refernces

• 1、 Whitehead, Daniel C.,Staples, Richard J.,Borhan, Babak. "A simple and expedient method for the preparation of N-chlorohydantoins". supporting information; experimental part. p. 656 - 658. Retrieved 2011/02/27.
• 2、 -. "Antibacterial and antifungal polyacetal resin composition". . . Retrieved 2008/06/13.