1,3-diiodo-5,5-dimethylimidazolidine-2,4-dione

• ChemBase编号: 142556
• 分子式: C5H6I2N2O2
• 平均质量: 379.92228
• 单一同位素质量: 379.85187344
• SMILES: CC1(C(=O)N(C(=O)N1I)I)C
• Canonical SMILES: IN1C(=O)N(C(C1=O)(C)C)I
• InChI: InChI=1S/C5H6I2N2O2/c1-5(2)3(10)8(6)4(11)9(5)7/h1-2H3
• InChIKey: RDZHCKRAHUPIFK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,3-diiodo-5,5-dimethylimidazolidine-2,4-dione
• IUPAC传统名: 1,3-diiodo-5,5-dimethylimidazolidine-2,4-dione
• 别名: 1,3-二碘-5,5-二甲基海因; DIH; 1,3-Diiodo-5,5-dimethylhydantoin; 1,3-Diiodo-5,5-dimethyl hydantoin

登记号

• CAS号: 2232-12-4
• MDL号: MFCD00020867
• Beilstein号: 146040
• PubChem SID: 162236783
• PubChem CID: 200534

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.3503593
• LogD (pH = 7.4): 1.3503593
• Log P: 1.3503593
• 摩尔折射率: 55.3349 cm^3
• 极化性: 22.700909 Å^3
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

安全信息

• RTECS编号: MU0970000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 环境危害性(Nature polluting) (N); 氧化性(Oxidising) (O)
• 德国WGK号: 3
• 危险公开号: 8-35-50/53
• 安全公开号: 26-36/37/39-45-60-61
• GHS危险品标识: GHS03; GHS05; GHS09
• GHS警示词: Danger
• GHS危险声明: H272-H314-H400
• GHS警示性声明: P220-P273-P280-P305 + P351 + P338-P310
• 个人保护装置: 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
• 保存温度: -20°C

产品相关信息

• 纯度: ≥96%; 95+%; 98%
• Empirical Formula (Hill Notation): C5H6I2N2O2

详细说明

Sigma Aldrich - 711624

包装
5, 25 g in glass bottle
Application
DIH - Highly efficient and economical reagent for IodinationUsed for:
• Preparation of nitriles from corresponding alcohols and amines via oxidative conversion1
• Chemoselective, stereospecific iododesilylation of silylated alkenes2
• Preparation of N-benzyl toluenesulfonamides via sulfonylamidation of alkylbenzenes with toluenesulfonamide in presence of diiododimethylhydantoin3
• Iodination reactions4