1,3-다이브로모-5,5-다이메틸하이단토인
1,3-다이브로모-5,5-다이메틸하이단토인 · 1,3-다이브로모-5,5-디메틸하이단토인 · 77-48-5 · DBDMH · DBNPA · 1,3-Dibromo-5,5-dimethylimidazolidine-2,4-dione · DDH · dibromohydantoin
식별자 및 물리적 특성
| CAS No. | 77-48-5 |
|---|---|
| 분자식 | C5H6Br2N2O2 |
| 평균 분자량 | 285.92 g/mol |
| 단동위원소 질량 | 283.87960163 g/mol |
| SMILES | CC1(C)C(=O)N(Br)C(=O)N1Br |
| InChIKey | VRLDVERQJMEPIF-UHFFFAOYSA-N |
| PubChem CID | 6479 |
| ChEMBL | CHEMBL3184055 |
| EC No. | 201-030-9 |
| DTXSID | DTXSID3035341 |
| 현지명 | 1,3-다이브로모-5,5-다이메틸하이단토인 |
화학 및 물리적 성질
| XLogP | 1.5 |
|---|---|
| 극성 표면적 | 40.6 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 229 |
| 물질 분류 | Other Uses -> Biocides/Disinfectants |
| Food Contact Substances | FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications |
| Physical Description | Dry PowderLight yellow powder[Aldrich MSDS] |
| 녹는점 | 197-199 °C (dec.)(lit.) |
| 끓는 점 | 250.2±23.0 °C(Predicted) |
| 밀도 | 1.00 g/cm3 (25℃) |
| 굴절률 | 1.6220 (estimate) |
| 인화점 | 155 °C |
| 저장 조건 | Store below +30°C. |
| 용해도 | 1g/L |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | -3.44±0.40(Predicted) |
| 색상 | 크림색 또는 밝은 노란색 |
| 용해도 | 알코올, 에테르, 벤젠에 용해됩니다. 물에 불용성. |
| Merck | 14,3017 |
| BRN | 146024 |
| InChI | 1S/C5H6Br2N2O2/c1-5(2)3(10)8(6)4(11)9(5)7/h1-2H3 |
| InChIKey | VRLDVERQJMEPIF-UHFFFAOYSA-N |
| SMILES | CC1(C)N(Br)C(=O)N(Br)C1=O |
| EPA | 1,3-Dibromo-5,5-dimethylhydantoin (77-48-5) |
화학적 성질
solid
안전 및 규제
| GHS 분류 | DangerH272 (93.5%): May intensify fireoxidizer [Danger Oxidizing liquidsOxidizing solids]P210, P220, P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 231 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: 2,4-Imidazolidinedione, 1,3-dibromo-5,5-dimethyl-2,4-Imidazolidinedione, 1,3-dibromo-5,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,4-Imidazolidinedione, 1,3-dibromo-5,5-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 24-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/100891,3-Dibromo-5,5-dimethylhydantoin: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Evidence of thyroid hypofunction in repeated dose study of rats[RTECS] Corrosive to skinNot sensitizing to guinea pigsHalohydantoins: The persistent metabolites, 5,5-Dimethylhydantoin (DMH) and 5-Ethyl-5-methylhydantoin (EMH), are used for developing toxicity data for this group of compoundsQuickly decomposed by water forming hypochlorous or hypobromous acid (the true biocidal agents) and DMH or EMHDMH/EMH: Sub-chronic, developmental, reproductive, and chronic toxicity animal studies have shown non-specific toxicity at high doses (no evidence of carcinogenicity, reproductive or developmental toxicity, and limited evidence of mutagenicity)[Reference #1] An oxidizer that can intensify fireCauses burnsInhalation may cause corrosive injuries to upper respiratory tract and lungsToxic by ingestion[Aldrich MSDS] See 1,3-Dichloro-5,5-dimethylhydantoin. |
| Hazard Classes and Categories |
용도
개요
1,3-Dibromo-5,5-dimethylhydantoin is an important chemical product and has been widely applied in chemical, pharmaceutical and agricultural industries with various kinds of advantages including excellent stability, high content of bromine and high reactive activity.
용도
Brominating agent. Analytical reagent for determination of iodide and organic iodine, and for identification tests.
일반 설명
Currently, the combined formulation between 1,3-Dibromo-5,5-dimethylhydantoin(DBDMH) and other halogenated hydantoin for application has become a hotspot in recent years such as the combined application of BCDMH and DBDMH as well as the combined application of DCDMH and DBDMH. For the combined formulation of DBDMH and other halogenated hydantoin, one critical factor is the ratio between effective chlorine and effective bromine.