methanesulfonyl chloride

• ChemBase编号: 78560
• 分子式: CH3ClO2S
• 平均质量: 114.55132
• 单一同位素质量: 113.95422802
• SMILES: ClS(=O)(=O)C
• Canonical SMILES: CS(=O)(=O)Cl
• InChI: InChI=1S/CH3ClO2S/c1-5(2,3)4/h1H3
• InChIKey: QARBMVPHQWIHKH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methanesulfonyl chloride
• IUPAC传统名: methanesulfonyl chloride
• 别名: 甲磺酰氯; 甲磺酰氯; 甲基磺酰氯; METHANESULFONYL CHLORIDE; Methanesulphonyl chloride; Methanesulfonyl chloride; Mesyl chloride

登记号

• CAS号: 124-63-0
• EC号: 204-706-1
• MDL号: MFCD00007454
• Beilstein号: 506297
• 默克索引号: 145955
• PubChem SID: 162043323; 24874660; 24870710
• PubChem CID: 31297
• Chemspider ID: 29037
• 维基百科标题: Methanesulfonyl_chloride

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -0.19497725
• LogD (pH = 7.4): -0.19497725
• Log P: -0.19497725
• 摩尔折射率: 20.1032 cm^3
• 极化性: 8.86013 Å^3
• 极化表面积: 34.14 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: slightly soluble, reacts in water
• 外观: liquid
• 熔点: -33°C; -33°C
• 沸点: 161°C; 161°C (730 mmHg); 161°C; 60 °C/21 mmHg(lit.)
• 闪点: 113 °C; 113°C; 235.4 °F; 97°C(206°F)
• 密度: 1.477; 1.48 g/mL at 25 °C(lit.); 1.480; 1.480 g/mL
• 折射率: 1.4520; n20/D 1.452; n20/D 1.452(lit.)

安全信息

• 保存注意事项: Moisture Sensitive; Very Toxic/Corrosive/Harmful/Irritant/Lachrymatory/Moisture Sensitive/Keep Cold/Store under Argon
• RTECS编号: PB2790000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 有毒(Toxic) (T); 剧毒(Highly toxic) (T+)
• 联合国危险货物编号: 3246; UN3246
• 德国WGK号: 2
• 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: 24/25-26-34; 24/25-26-34-37; R:25-34
• 安全公开号: 26-28-36/37/39-45; 4-9-20-23-26-27-36/37/39-45; S:26-28-29-36/37/39-45
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS06
• GHS警示词: Danger
• 主要危害: Lachrymator,; Highly toxic,; corrosive
• GHS危险声明: H300 +H310 + H330-H314-H335; H300-H310-H330-H314-H318
• GHS警示性声明: P260-P264-P280-P284-P301 + P310-P302 + P350; P260-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P361-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 3246 6.1/PG 1
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.0% (AT); ≥99%; ≥99.0% (AT); ≥99.7%; 98%
• 级别: puriss.; purum
• 线性分子式: CH3SO2Cl

详细说明

Sigma Aldrich - 471259

包装
1 L in glass bottle
5, 100, 500 mL in glass bottle

Sigma Aldrich - 527955

Legal Information
Arkema 产品

Sigma Aldrich - 320382

包装
聚合物涂覆瓶包装

参考文献

• Esters of hindered acids have been prepared via the mesyl mixed anhydride and reaction with the alcohol in the presence of DMAP: Synth. Commun., 12, 727 (1982).
• Reagent for conversion of alcohols to their mesylate esters. For mesylation of an acetylenic alcohol followed by displacement with an amine, see Org. Synth. Coll., 9, 46 (1998). In the presence of triethylamine, reaction occurs by way of the sulfene intermediate, which mesylates alcohols of low nucleophilicity including tert-alcohols and 2,2,2-trifluoroethanol: J. Org. Chem., 35, 3195 (1970).
• In pyridine, primary alcohols are converted to alkyl chlorides, via nucleophilic displacement by Cl^- on the mesylate: Chem. Pharm. Bull., 24, 365 (1976); J. Org. Chem., 48, 657 (1983). In combination with LiCl in collidine, allylic alcohols are converted to chlorides without allylic rearrangement: J. Org. Chem., 36, 3044 (1971).
• For use in the symmetrical coupling of aryl mesylates to give biaryls, catalyzed by Dichlorobis(triphenylphosphine)nickel(II), 13930, see: J. Org. Chem., 60, 6895 (1995).