1,3-Dibromo-5,5-dimethylhydantoin structure
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Common Name | 1,3-Dibromo-5,5-dimethylhydantoin | ||
|---|---|---|---|---|
| CAS Number | 77-48-5 | Molecular Weight | 285.921 | |
| Density | 2.2±0.1 g/cm3 | Boiling Point | 250.2±23.0 °C at 760 mmHg | |
| Molecular Formula | C5H6Br2N2O2 | Melting Point | 197-199 °C (dec.)(lit.) | |
| MSDS | Chinese USA | Flash Point | 105.1±22.6 °C | |
| Symbol |
GHS03, GHS05, GHS06, GHS09 |
Signal Word | Danger | |
Use of 1,3-Dibromo-5,5-dimethylhydantoin1,3-Dibromo-5,5-dimethylhydantoin is an alkyl chain-based PROTAC linker that can be used in the synthesis of PROTACs[1]. |
Summary: 1,3-Dibromo-5,5-dimethylhydantoin, with Chinese name as 1,3-二溴-5,5-二甲基海因, CAS number 77-48-5, and molecular formula C5H6Br2N2O2, with molecular weight 285.921. It appears as a white powder with a melting point of 197-199°C (dec.) and a boiling point of 250.2±23.0 °C. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1,3-Dibromo-5,5-dimethylhydantoin |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 1,3-Dibromo-5,5-dimethylhydantoin is an alkyl chain-based PROTAC linker that can be used in the synthesis of PROTACs[1]. |
|---|---|
| Related Catalog | |
| Target |
Alkyl-Chain |
| In Vitro | PROTACs contain two different ligands connected by a linker; one is a ligand for an E3 ubiquitin ligase and the other is for the target protein. PROTACs exploit the intracellular ubiquitin-proteasome system to selectively degrade target proteins[1]. |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 2.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 250.2±23.0 °C at 760 mmHg |
| Melting Point | 197-199 °C (dec.)(lit.) |
| Molecular Formula | C5H6Br2N2O2 |
| Molecular Weight | 285.921 |
| Flash Point | 105.1±22.6 °C |
| Exact Mass | 283.879578 |
| PSA | 40.62000 |
| LogP | 1.68 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.622 |
| InChIKey | VRLDVERQJMEPIF-UHFFFAOYSA-N |
| SMILES | CC1(C)C(=O)N(Br)C(=O)N1Br |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS03, GHS05, GHS06, GHS09 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H272-H301-H314-H317-H410 |
| Precautionary Statements | Missing Phrase - N15.00950417-P210-P220-P280-P305 + P351 + P338-P370 + P378 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges |
| Hazard Codes | C:Corrosive |
| Risk Phrases | R22;R34;R50;R8 |
| Safety Phrases | S17-S26-S36/37/39-S45-S60-S61 |
| RIDADR | UN 3087 5.1/PG 2 |
| WGK Germany | 3 |
| RTECS | MU0686000 |
| Packaging Group | II |
| Hazard Class | 5.1 |
| HS Code | 29332100 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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1,3-Dibromo-5,5... CAS#:77-48-5 |
| Literature: ALBEMARLE CORPORATION Patent: EP1250045 B1, 2003 ; |
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1,3-Dibromo-5,5... CAS#:77-48-5 |
| Literature: US2868787 , ; |
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1,3-Dibromo-5,5... CAS#:77-48-5 |
| Literature: Anales de la Asociacion Quimica Argentina (1921-2001), , vol. 41, p. 153 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
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| DownStream 10 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
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| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Determination of selenium sulfide using 1,3-dibromo-5,5-dimethylhydantoin (DBH). Analytical methods of pharmacopeias with DBH in respect to environmental and economical concern Part 11.
J. Pharm. Biomed. Anal. 28(2) , 337-43, (2002) USP 2000 (The United States Pharmacopeia, Rockville, MD, 24th ed., 2000, pp. 1514-1515) and PH. EUR. 1997 (European Pharmacopoeia, 3rd ed., Council of Europe, Strasbourg, 1997, p. 1459) dissolve selen... |
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Titrimetric determination of acetylenic hyponotics using organic brominating agents.
Pharm. Weekbl. Sci. 10(2) , 90-2, (1988) A titrimetric method is described for the determination of three acetylenic hypnotics, namely ethchlorvynol, ethinamate, and methylpentynol carbamate, in bulk and in dosage forms. The method involves ... |
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Determination of iron limiting values according to PH. EUR. using 1,3-dibromo-5,5-dimethylhydantoin (DBH) instead of elemental bromine. Analytical methods of pharmacopoeias with DBH in respect to environmental and economical concern. Part 8.
Pharmazie 57(1) , 45-8, (2002) PH. EUR. 2002 uses elemental bromine performing iron limit tests for maleic acid (iron 5 ppm) and titanium dioxide (iron 200 ppm). 1,3-Dibromo-5,5-dimethylhydantoin (DBH) can replace bromine water. Fo... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| N,N'-dibromo-5,5-dimethyl hydantoin |
| 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione |
| DIBROMANTIN |
| 3-DibroMo-5 |
| DDH |
| 1,3-dibromo-5,5-dimethyl-hydantoin |
| 1,3-Dibromo-5,5-dimethyl-2,4-imidazolidinedione |
| 1,3-Dibromo-5,5-dimethyl hydantoin |
| EINECS 201-030-9 |
| 1,3-Dibromo-5,5-dimethylhydantoin |
| Bromotoin |
| dibromantine |
| BROMTOIN |
| DIBROMATIN |
| 1,3-Dibromo-5 |
| DBDMH |
| 1,3-dibromo-4,4-dimethyl-2,5-dioxoimidazolidine |
| MFCD00003189 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of 1,3-Dibromo-5,5-dimethylhydantoin? |
| A: CAS number of 1,3-Dibromo-5,5-dimethylhydantoin is 77-48-5. |
| Q: What are the upstream materials of 1,3-Dibromo-5,5-dimethylhydantoin? |
| A: Related upstream materials(CAS) of 1,3-Dibromo-5,5-dimethylhydantoin: 77-71-4;118-52-5;143-33-9;67-64-1. |
| Q: What is the LogP of 1,3-Dibromo-5,5-dimethylhydantoin? |
| A: LogP of 1,3-Dibromo-5,5-dimethylhydantoin is 1.68. |
| Q: What is the polar surface area (PSA) of 1,3-Dibromo-5,5-dimethylhydantoin? |
| A: Polar surface area (PSA) of 1,3-Dibromo-5,5-dimethylhydantoin is 40.62000. |
| Q: What is the melting point of 1,3-Dibromo-5,5-dimethylhydantoin? |
| A: Melting point of 1,3-Dibromo-5,5-dimethylhydantoin is 197-199 °C (dec.)(lit.). |
| Q: What are the uses of 1,3-Dibromo-5,5-dimethylhydantoin? |
| A: Main uses of 1,3-Dibromo-5,5-dimethylhydantoin: 1,3-Dibromo-5,5-dimethylhydantoin is an alkyl chain-based PROTAC linker that can be used in the synthesis of PROTACs[1]. |
| Q: What is the boiling point of 1,3-Dibromo-5,5-dimethylhydantoin? |
| A: Boiling point of 1,3-Dibromo-5,5-dimethylhydantoin is 250.2±23.0 °C at 760 mmHg. |
| Q: What is the molecular weight of 1,3-Dibromo-5,5-dimethylhydantoin? |
| A: Molecular weight of 1,3-Dibromo-5,5-dimethylhydantoin is 285.921. |
| Q: What is the SMILES notation of 1,3-Dibromo-5,5-dimethylhydantoin? |
| A: SMILES notation of 1,3-Dibromo-5,5-dimethylhydantoin is CC1(C)C(=O)N(Br)C(=O)N1Br. |
| Q: What is the molecular formula of 1,3-Dibromo-5,5-dimethylhydantoin? |
| A: Molecular formula of 1,3-Dibromo-5,5-dimethylhydantoin is C5H6Br2N2O2. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |
| Zhongshan Xingrui Chemical Co. , Ltd. |