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| CAS No.: | 16079-88-2 |
|---|---|
| Name: | 1-Bromo-3-chloro-5,5-dimethylhydantoin |
| Article Data: | 3 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H6BrClN2O2 |
| Molecular Weight: | 241.472 |
| Synonyms: | 1-bromo-3-chloro-5,5-dimethylimidazolidine-2,4-dione |
| EINECS: | 240-230-0 |
| Density: | 1.91 g/cm3 |
| Melting Point: | 159-163 °C |
| Boiling Point: | 232.7 °C at 760 mmHg |
| Flash Point: | 94.5 °C |
| Appearance: | slightly yellow crystalline powder |
| Hazard Symbols: |
 O, C
|
| Risk Codes: | 8-31-34 |
| Safety: | 8-17-26-36/37/39-41-45 |
| Transport Information: | UN 3085 5.1/PG 2 |
| PSA: | 40.62000 |
| LogP: | 1.36870 |
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5,5-dimethyl-imidazolidine-2,4-dione
- 16079-88-2
N-bromo-N'-chloro-5,5-dimethylhydantoin
| Conditions | Yield |
|---|---|
| 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 |
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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. |