triiodomethane

• ChemBase编号: 104189
• 分子式: CHI3
• 平均质量: 393.73205
• 单一同位素质量: 393.72124403
• SMILES: IC(I)I
• Canonical SMILES: IC(I)I
• InChI: InChI=1S/CHI3/c2-1(3)4/h1H
• InChIKey: OKJPEAGHQZHRQV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: triiodomethane
• IUPAC传统名: iodoform
• 别名: 三碘甲烷; 碘仿; Iodoform; Triiodomethane; IODOFORM

登记号

• CAS号: 75-47-8
• EC号: 200-874-5
• MDL号: MFCD00001069
• Beilstein号: 1697010
• 默克索引号: 145033
• PubChem SID: 162091555; 24846919; 24881012
• PubChem CID: 6374
• CHEBI ID: 37758
• ATC码: D09AA13
• CHEMBL: 1451116
• Chemspider ID: 6134
• KEGG ID: D01910
• 医学主题词(MeSH): iodoform
• 美国药典/FDA物质标识码: KXI2J76489
• 维基百科标题: Iodoform

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.6471486
• LogD (pH = 7.4): 4.6471486
• Log P: 4.6471486
• 摩尔折射率: 45.2423 cm^3
• 极化性: 19.038666 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: 100 mg L^-1 (at 20 °C) in water; 120 g L^-1 in acetone; 136 g L^-1 in diethyl ether; 78 g L^-1 in ethanol
• 外观: Pale, light yellow, opaque crystals
• 熔点: 118-121 °C; 118-121 °C(lit.); 118-123°C; 121.10°C (394.25K); About 119 °C (246 °F)
• 沸点: Decomposes violently at 210 °C (410 °F)
• 闪点: 204 °C; None
• 密度: 4.008; 4.008 g mL^-1; 4.008 g/mL at 25 °C(lit.); 4.1 (water = 1)
• 蒸汽压: Not available
• 蒸汽密度: 13.6 (air = 1)
• 分配系数: 3.118
• 亨利常数: 3.4 μmol Pa^-1 kg^-1
• 热容: 157.5 J K^-1 mol^-1
• 标准摩尔燃烧焓 (ΔcH^o298): -716.9–-718.1 kJ mol^-1
• 标准摩尔生成焓 (ΔfH^o298): 180.1–182.1 kJ mol^-1

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: Light Sensitive
• RTECS编号: PB7000000
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 20/21/22-36/37/38; R:22; r20/21/22, r36/37/38
• 安全公开号: 26-36/37; S:36/37/39; s26, s36/37
• TSCA收录: 是
• GHS危险品标识: gHS exclamation mark; GHS06; GHS07
• GHS警示词: WARNING; Warning
• NFPA704:
  

  0

  2

  1
• 半数致死量: 1.184 g kg^-1 (dermal, rat); 355 mg kg^-1 (oral, rat)
• GHS危险声明: 315, 319, 335; H301-H311-H332-H315-H319-H335; H302 + H312 + H332-H315-H319-H335
• GHS警示性声明: 261, 280, 305+351+338; P261-P280-P305 + P351 + P338; P261-P301+P310-P305+P351+P338-P361-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

产品相关信息

• 纯度: ≥99.0%; ≥99.0% (AT); 99%
• 级别: purum; SAJ first grade
• Empirical Formula (Hill Notation): CHI3

详细说明

MP Biomedicals - 05208508

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02155060

(Triiodomethane) Yellow crystals.

Sigma Aldrich - 109452

包装
5, 100, 500 g in glass bottle

参考文献

• Precursor of diiodocarbene under phase-transfer conditions: Angew. Chem. Int. Ed., 13, 132 (1974), or using KO-t-Bu: Synthesis, 313 (1976). Generation of diiodocarbene with NaH in ether and reaction with malonate is the first step of a route to vinyl iodides: J. Chem. Soc., Perkin 1, 47 (1990):
  
• In the presence of solid NaOH, free radical iodination of saturated hydrocarbons has been accomplished under mild conditions. The reaction is thought to involve the triiodomethyl radical as a chain carrier: Angew. Chem. Int. Ed., 38, 2786 (1999).