기본 정보
- CAS
2232-12-4- 표준 SMILES
CC1(C)C(=O)N(I)C(=O)N1I- InChIKey
RDZHCKRAHUPIFK-UHFFFAOYSA-N- 분자식
- C5H6I2N2O2
- 평균 분자량
- 379.92 g/mol
- 단동위원소 질량
- 379.85187
이름 및 식별자
- 우선 이름
- 1,3-Diiodo-5,5-dimethylimidazolidine-2,4-dione
- IUPAC
- 1,3-diiodo-5,5-dimethylimidazolidine-2,4-dione
- 현지명
- 1,3-디요오도-5,5-디메틸히단토인
- 영어명
- 1,3-Diiodo-5,5-dimethylhydantoin
- 분자식
- C5H6I2N2O2
- 분자량
- 379.92
이름 및 동의어
1,3-diiodo-5,5-dimethylimidazolidine-2,4-dione1,3-Diiodo-5,5-dimethyl-imidazolidine-2,4-dione1,3-Diiodo-5,5-dimethyl-2,4-imidazolidinedioneRefChem:414486480-280-2606-981-71,3-Diiodo-5,5-dimethylhydantoin2232-12-41,3-Diiodo-5,5-Dimethyl hydantoin2,4-Imidazolidinedione, 1,3-diiodo-5,5-dimethyl-Hydantoin, 1,3-diiodo-5,5-dimethyl-MFCD00020867
이름 더 보기
1,3-디요오도-5,5-디메틸히단토인Diiodohydantoin1,3-DIIODO-5,5-DIMETHydantoin Impurity 61,3-DIIODO-5,5-DIMETHYLHYDANTOINvHydantoin 1,3-Diiodo 5,5-DimethylN,N'-Diiodo-5,5'-dimethylhydantoin
BRN 0146040DIHAI3-632344-24-00-01102 (Beilstein Handbook Reference)84ML8GRH5KDiiodo-5,5-dimethylhydantoinSCHEMBL481384C5H6I2N2O2
데이터베이스 식별자
- CAS
2232-12-4- PubChem CID
- 200534
- DTXSID
DTXSID50176865- UNII
- 84ML8GRH5K
- EC Number
- 480-280-2、606-981-7
- Nikkaji
- J49.453D
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 40.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 229
물리화학적 성질
- 녹는점
- 198 °C · 198°C(dec.)(lit.)
- 끓는 점
- 298.4 · 298.4±23.0 °C(Predicted)
- 밀도
- 2.69 · 2.69±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C
- 용해도
- 2 Cl2 · sol acetone; slightly sol CH2Cl2
- 산도 계수 (pKa)
- -3.25 · -3.25±0.40(Predicted)
- 물리적 상태
- powder to crystal
- 색상
- White to Light yellow to Light orange
- BRN
- 146040 · 146040
- InChI
- InChI=1S/C5H6I2N2O2/c1-5(2)3(10)8(6)4(11)9(5)7/h1-2H3
- InChIKey
- RDZHCKRAHUPIFK-UHFFFAOYSA-N
- SMILES
- C1(=O)N(I)C(C)(C)C(=O)N1I
화학적 성질
White powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H272 (95.3%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids]
P210, P220, P260, P264, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
유해성 정보
Regulatory InformationREACH registered substance: 1,3-Diiodo-5,5-dimethyl-imidazolidine-2,4-dione (EC: 480-280-2)
Hazard Classes and Categories
Acute Tox. 4 (100%)
Ox. Sol. 2 (95.3%)
안전 데이터
- wgk
- 3
- rtecs
- MU0970000
- ridadr
- UN 3085 8(5.1) / PGII
- HS 번호
- 2933210090
- risk_code
- 8-35-50/53
- hazard_code
- O,C,N
- safety_code
- 26-36/37/39-45-60-61
- 포장분류
- II
- 위험 등급
- 5.1/8
- Hazard Classifications
- Aquatic Acute 1Ox. Sol. 2Skin Corr. 1B
- 스토리지 클래스
- 5.1B - Oxidizing hazardous materials
화학 및 산업
응용 분야
용도DIH - Highly efficient and economical reagent for IodinationUsed for:Preparation of nitriles from corresponding alcohols and amines via oxidative conversionChemoselective, stereospecific iododesilylation of silylated alkenesPreparation of N-benzyl toluenesulfonamides via sulfonylamidation of alkylbenzenes with toluenesulfonamide in presence of diiododimethylhydantoinIodination reactions
제조 방법
1,3-diiodo-5,5-dimethylhydantoin is prepared by reaction of Iodine Monochloride (0.11 mol) with 5,5- dimethylhydantoin (0.05 mol) and Sodium Hydroxide (0.1 mol) in ice-water at 0 °C;1 the product is used without further purification.
공급사97 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.
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