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1-Bromo-3-chloro-5,5-dimethylhydantoin

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Name

1-Bromo-3-chloro-5,5-dimethylhydantoin

EINECS 240-230-0
CAS No. 16079-88-2 Density 1.91 g/cm3
PSA 40.62000 LogP 1.36870
Solubility N/A Melting Point 159-163 °C
Formula C5H6BrClN2O2 Boiling Point 232.7 °C at 760 mmHg
Molecular Weight 241.472 Flash Point 94.5 °C
Transport Information UN 3085 5.1/PG 2 Appearance slightly yellow crystalline powder
Safety 8-17-26-36/37/39-41-45 Risk Codes 8-31-34
Molecular Structure Molecular Structure of 16079-88-2 (1-Bromo-3-chloro-5,5-dimethylhydantoin) Hazard Symbols OxidizingO,CorrosiveC
Synonyms

1-bromo-3-chloro-5,5-dimethylimidazolidine-2,4-dione

Article Data 3

1-Bromo-3-chloro-5,5-dimethylhydantoin Synthetic route

77-71-4

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

16079-88-2

N-bromo-N'-chloro-5,5-dimethylhydantoin

Conditions
ConditionsYield
Stage #1: 5,5-dimethyl-imidazolidine-2,4-dione With bromine; sodium hydroxide In water at 5 - 10℃; for 0.25h; Large scale;
Stage #2: With chlorine In water for 0.5h; Temperature; Reagent/catalyst; Large scale;
96.3%
With sodium hydroxide; bromine; chlorine In dichloromethane; water
With sodium hydroxide; bromine; chlorine In dichloromethane

1-Bromo-3-chloro-5,5-dimethylhydantoin Consensus Reports

 1-BROMO-3-CHLORO-5,5-DIMETHYL HYDANTOIN is reported in EPA TSCA Inventory.

   

 

    
   

 

    

1-Bromo-3-chloro-5,5-dimethylhydantoin Specification

The IUPAC name of 1-Bromo-3-chloro-5,5-dimethyl hydantoin is 1-bromo-3-chloro-5,5-dimethylimidazolidine-2,4-dione. With the CAS registry number 16079-88-2, it is also named as N-Bromo-N'-chloro-5,5-dimethylhydantoin; 2,4-Imidazolidinedione, 1-bromo-3-chloro-5,5-dimethyl-. The product's categories are inorganic & organic chemicals, miscellaneous and water treatment chemicals. It is slightly yellow crystalline powder which is stable, but contact with combustible material may lead to fire. It is also incompatible with acids, organic materials, finely powdered metals.

Physical properties about 1-Bromo-3-chloro-5,5-dimethyl hydantoin are: (1)ACD/LogP: 1.134; (2)ACD/LogD (pH 5.5): 1.13; (3)ACD/LogD (pH 7.4): 1.13; (4)ACD/BCF (pH 5.5): 4.29; (5)ACD/BCF (pH 7.4): 4.29; (6)ACD/KOC (pH 5.5): 98.64; (7)ACD/KOC (pH 7.4): 98.64; (8)#H bond acceptors: 4; (9)Index of Refraction: 1.611 ; (10)Molar Refractivity: 43.711 cm3; (11)Molar Volume: 125.91 cm3; (12)Polarizability: 17.328 10-24cm3; (13)Surface Tension: 60.8499984741211 dyne/cm; (14)Density: 1.918 g/cm3; (15)Flash Point: 94.508 °C; (16)Enthalpy of Vaporization: 46.935 kJ/mol; (17)Boiling Point: 232.657 °C at 760 mmHg; (18)Vapour Pressure: 0.0579999983310699 mmHg at 25°C

Uses of 1-Bromo-3-chloro-5,5-dimethyl hydantoin: it can be used as an excellent fungicide which is widely used in various industrial cooling water systems, swimming pools, aquaculture, water jet cleaning and pulp bleaching. It also can be used as water treatment chemicals and pharmaceutical intermediates. Mechanism: C5H6BrClN2O2+2H2O→C5H8N2O2+HOBr+HOCl

When you are using this chemical, please be cautious about it as the following:
It contacts with combustible material may cause fire and contact with acids liberates toxic gas. It also can cause burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of fire and / or explosion do not breathe fumes. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) So people should keep the container dry and keep away from combustible material.

You can still convert the following datas into molecular structure:
1. SMILES: O=C1N(Cl)C(=O)N(Br)C1(C)C;
2. InChI: InChI=1/C5H6BrClN2O2/c1-5(2)3(10)8(7)4(11)9(5)6/h1-2H3

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 2gm/kg (2000mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C10, 1991.
rat LD50 oral 1390mg/kg (1390mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C10, 1991.

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