2-chloroethane-1-sulfonyl chloride

• ChemBase编号: 34711
• 分子式: C2H4Cl2O2S
• 平均质量: 163.02296
• 单一同位素质量: 161.93090573
• SMILES: S(=O)(=O)(CCCl)Cl
• Canonical SMILES: ClCCS(=O)(=O)Cl
• InChI: InChI=1S/C2H4Cl2O2S/c3-1-2-7(4,5)6/h1-2H2
• InChIKey: VHCSBTPOPKFYIU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-chloroethane-1-sulfonyl chloride
• IUPAC传统名: 2-chloroethanesulfonyl chloride
• 别名: 2-氯-1-乙烷磺酰氯; 2-氯乙烷磺酰氯; 2-Chloro-1-ethanesulfonyl chloride; 2-Chloroethanesulfonyl chloride; Ethanesulfonyl chloride, 2-chloro-; 2-Chloroethane sulfochloride; 2-Chloroethanesulfonyl chloride; 2-Chloroethylsulfonyl chloride

登记号

• CAS号: 1622-32-8
• EC号: 216-594-1
• MDL号: MFCD00007461
• Beilstein号: 1751202
• PubChem SID: 160998018; 24858246
• PubChem CID: 15385
• Chemspider ID: 14644
• 维基百科标题: 2-Chloroethanesulfonyl_chloride

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.6217018
• LogD (pH = 7.4): 0.6217018
• Log P: 0.6217018
• 摩尔折射率: 29.5703 cm^3
• 极化性: 12.602846 Å^3
• 极化表面积: 34.14 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 203°C; 203°C; 84-86 °C/15 mmHg(lit.)
• 闪点: >110°C(230°F); 113 °C; 235.4 °F
• 密度: 1.56 g/mL at 25 °C(lit.); 1.560
• 折射率: 1.4915; n20/D 1.493(lit.); n20/D 1.494
• 蒸汽压: 15 mmHg ( 84 °C)

安全信息

• 保存注意事项: Moisture Sensitive; TOXIC BY INHALATION, CORROSIVE
• RTECS编号: KI8060000
• 欧盟危险性物质标志: 剧毒(Highly toxic) (T+)
• 联合国危险货物编号: 3390; UN3390
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 1; I
• 危险公开号: 22-26-34
• 安全公开号: 26-28-36/37/39-45; 9-23-26-28-36/37/39-45
• TSCA收录: false; 是
• GHS危险品标识: GHS05; GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H314-H330; H301-H330-H314-H318
• GHS警示性声明: P260-P280-P284-P301 + P310-P305 + P351 + P338-P310; P260-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P405-P501A
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3390 6.1/PG 1

产品相关信息

• 纯度: ≥97.0% (AT); 95%; 96%; 98%
• 级别: purum
• 线性分子式: ClCH2CH2SO2Cl

详细说明

Sigma Aldrich - 302325

包装
5, 25 g in glass bottle

参考文献

• In the presence of a base, converts alcohols to vinyl sulfonates: J. Am. Chem. Soc., 68, 1797 (1946); Angew. Chem. Int. Ed., 4, 300 (1965). These electrophilic alkenes readily undergo conjugate addition reactions with various nucleophiles:
  
• Reaction with pentafluorophenol, in the presence of Et₃N, gives PFP vinylsulfonate, which can be converted to a sulfonamide via tin-mediated radical addition of alkyl halides to the olefinic bond, followed by displacement of the PFP group with an amine: Org. Lett., 42549 (2002).