2-iodothiophene

• ChemBase编号: 8909
• 分子式: C4H3IS
• 平均质量: 210.03609
• 单一同位素质量: 209.9000191
• SMILES: Ic1sccc1
• Canonical SMILES: Ic1cccs1
• InChI: InChI=1S/C4H3IS/c5-4-2-1-3-6-4/h1-3H
• InChIKey: ROIMNSWDOJCBFR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-iodothiophene
• IUPAC传统名: 2-iodothiophene
• 别名: 2-碘噻吩; 2-Iodothiophene; 2-Iodothiophene; 2-Thienyl iodide

登记号

• CAS号: 3437-95-4
• EC号: 222-342-1
• MDL号: MFCD00005424
• Beilstein号: 104666
• PubChem SID: 24851738; 160972216
• PubChem CID: 18921

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 2.8486283
• LogD (pH = 7.4): 2.8486283
• Log P: 2.8486283
• 摩尔折射率: 35.6862 cm^3
• 极化性: 14.363987 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

• 熔点: -40 °C(lit.); -40°C; -40°C
• 沸点: 182°C; 73 °C/15 mmHg(lit.); 73°C/15mm
• 闪点: 170.6 °F; 71°C; 71°C(159°F); 77 °C
• 密度: 1.902; 1.902 g/mL at 25 °C(lit.); 2.064
• 折射率: 1.651; 1.6520; n20/D 1.651(lit.)

安全信息

• 保存注意事项: IRRITANT; Irritant; Light Sensitive
• 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: 20/21/22-36/38; 22-37/38-41-43
• 安全公开号: 26-36/37; 26-36/37/39
• TSCA收录: true; 是
• GHS危险品标识: GHS05; GHS06; GHS07
• GHS警示词: Danger
• GHS危险声明: H301-H311-H332-H315-H319-H227; H302-H315-H317-H318-H335
• GHS警示性声明: P210-P301+P310-P305+P351+P338-P361-P405-P501A; P261-P280-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: 97%; 98%; 98%, stab. with copper
• 其他组分: copper as stabilizer
• Empirical Formula (Hill Notation): C4H3IS

详细说明

MP Biomedicals - 05215201

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 196150

包装
25 g in glass bottle

参考文献

• In contrast to 2-Bromothiophene, A11959 which requires a copper catalyst, reaction with a variety of thiols, including Thiophene-2-thiol, B22642 to give 2,2'-dithienyl sulfide, proceeds in high yield in the absence of catalyst, base or solvent: Tetrahedron Lett., 36, 8439 (1995).