基本情報
- CAS
89415-87-2- 標準SMILES
CCC1(C)C(=O)N(Cl)C(=O)N1Cl- InChIKey
OFTZZDZZNXTWFO-UHFFFAOYSA-N- 分子式
- C6H8Cl2N2O2
- 平均分子量
- 211.04 g/mol
- 単同位体質量
- 209.9962829
名称と識別子
- 優先名称
- 1,3-Dichloro-5-ethyl-5-methylhydantoin
- IUPAC
- 1,3-dichloro-5-ethyl-5-methylimidazolidine-2,4-dione
- 現地名
- 1，3-ジクロロ-5-エチル-5-メチル-2，4-イミダゾリジンジオン
- 英語名
- Dichloro-5-ethyl-5-methylhydantoin
- 分子式
- C6H8Cl2N2O2
- 分子量
- 211.05
名称と別名
89415-87-21,3-Dichloro-5-ethyl-5-methylhydantoindcmehDTXSID4035839UNII-LT0QPJ56WJLT0QPJ56WJ2,4-Imidazolidinedione, 1,3-dichloro-5-ethyl-5-methyl-DTXCID2015839Hydantoin, 1,3-dichloro-5-ethyl-5-methyl-EC 401-570-71,3-DICHLORO-5-ETHYLMETHYLHYDANTOIN1,3-DICHLORO-5-ETHYL-METHYLHYDANTOIN
名称をさらに表示
1，3-ジクロロ-5-エチル-5-メチル-2，4-イミダゾリジンジオンドデシル(分岐型)フェノール、グリオキシル酸及び水酸化ナトリウムの反応生成物dichloro-5-ethyl-5-methylhydantoin1,3-Dichloro-5-methyl-5-ethylhydantoin1,3-Dichloro-5-Ethyl-5-Methylhydantoin(DCMEH)1,3-DICHLORO-5-ETHYL-5-METHYL-2,4-IMIDAZOLIDINEDIONE(DCMEH)1，3-DICHLORO-5-ETHYL-5-METHYLHYDANTOIN,1，3-DICHLORO-5-ETHYL-5-METHYL-2,4-IMIDAZOLIDINEDIONE(DCMEH)
RefChem:726252,4Imidazolidinedione, 1,3dichloro5ethyl5methyl1,3-Dichloro-5-ethyl-5-methylimidazolidine-2,4-dioneMFCD019405221,3-dichloro-5-ethyl-5-methyl-imidazolidine-2,4-dione1,3-dichloro-5-ethyl-5-methyl-1,3-diazolidine-2,4-dione1,3-dichloro-5-ethyl-5-methyl-2,4-imidazolidinedione2,4-Imidazolidinedione,1,3-dichloro-5-ethyl-5-methyl-
データベース識別子
- CAS
89415-87-2- PubChem CID
- 62299
- DTXSID
DTXSID4035839- UNII
- LT0QPJ56WJ
- EC Number
- 401-570-7、685-362-3
- Nikkaji
- J1.588.323E
物性
構造計算による物性
- XLogP
- 1.7
- 極性表面積
- 40.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 1
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 246
実験および物理化学的性質
Chemical ClassesOther Uses -> Biocides/Disinfectants
Physical Description
Dry Powder
Halohydantoins: Usually off-white solids; [Reference #1]
物理化学的性質
- 融点
- 61 · 61-63 °C
- 沸点
- 234 · 234.0±23.0 °C(Predicted)
- 比重(密度)
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- 貯蔵温度
- Refrigerator, under inert atmosphere
- 溶解性
- アセトン（微量）、クロロホルム（微量）、DMSO（微量）、メタノール（微量）
- 外見
- 個体
- 酸解離定数(Pka)
- -3.44 · -3.44±0.40(Predicted)
- 色
- ホワイトからオフホワイト
- 安定性
- 湿気に敏感
- CAS データベース
- 89415 · 89415-87-2(CAS DataBase Reference)
- EPAの化学物質情報
- 1 · 1,3-Dichloro-5-ethyl-5-methylhydantoin (89415-87-2)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H271: May cause fire or explosion; strong Oxidizer [Danger Oxidizing liquids; Oxidizing solids]
P210, P220, P260, P261, P264, P270, P271, P272, P273, P280, P283, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P306+P360, P316, P321, P330, P333+P317, P362+P364, P363, P370+P378, P371+P380+P375, P391, P403+P233, P405, P420, and P501 (click each P-code to see the statement)
Danger
H271 (100%): May cause fire or explosion; strong Oxidizer [Danger Oxidizing liquids; Oxidizing solids]
P210, P220, P260, P261, P264, P270, P271, P272, P273, P280, P283, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P306+P360, P316, P321, P330, P333+P317, P362+P364, P363, P370+P378, P371+P380+P375, P391, P403+P233, P405, P420, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: Hydantoin, 1,3-dichloro-5-ethyl-5-methyl-
2,4-Imidazolidinedione, 1,3-dichloro-5-ethyl-5-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,4-Imidazolidinedione, 1,3-dichloro-5-ethyl-5-methyl- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 1,3-dichloro-5-ethyl-5-methylimidazolidine-2,4-dione (EC: 401-570-7)
2,4-Imidazolidinedione, 1,3-dichloro-5-ethyl-5-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards Summary
May cause burns and skin sensitization; [eChemPortal: ESIS] Halohydantoins: The persistent metabolites, 5,5-Dimethylhydantoin (DMH) and 5-Ethyl-5-methylhydantoin (EMH), are used for developing toxicity data for this group of compounds; Quickly decomposed by water forming hypochlorous or hypobromous acid (the true biocidal agents) and DMH or EMH; DMH/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] See 1,3-Dichloro-5,5-dimethylhydantoin.
化学と産業
用途と製造
Uses
Halohydantoins: Used as disinfectants in swimming pools, hot tubs, toilet bowls, and industrial systems (cooling water, pulp and paper, wastewater, and sewage); Also used as slimicide for paper/paperboard for food contact; [Reference #1]
Pulp and Paper Processing [Category: Industry]
U.S. Production2023: 25,220 lb
Consumer UsesBleaching agent
Industry UsesOxidizing agent
Household ProductsInformation on 15 consumer products that contain 1,3-Dichloro-5-ethyl-5-methylhydantoin in the following categories is provided:
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
2,4-Imidazolidinedione, 1,3-dichloro-5-ethyl-5-methyl-: ACTIVE
応用分野
使用1,3-Dichloro-5-ethyl-5-methylhydantoin is used in method and system for autonomous self-limiting generation of Chlorine Dioxide.
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