propane-2-sulfonyl chloride

• ChemBase编号: 9746
• 分子式: C3H7ClO2S
• 平均质量: 142.60448
• 单一同位素质量: 141.98552814
• SMILES: C(S(=O)(=O)Cl)(C)C
• Canonical SMILES: CC(S(=O)(=O)Cl)C
• InChI: InChI=1S/C3H7ClO2S/c1-3(2)7(4,5)6/h3H,1-2H3
• InChIKey: DRINJBFRTLBHNF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: propane-2-sulfonyl chloride
• IUPAC传统名: propane-2-sulfonyl chloride
• 别名: 异丙基磺酰氯; 2-丙烷磺酰氯; propane-2-sulfonyl chloride; 2-Propanesulfonyl chloride; Isopropylsulfonyl chloride; Isopropylsulphonyl chloride; Isopropylsulfonyl chloride

登记号

• CAS号: 10147-37-2
• EC号: 233-415-2
• MDL号: MFCD00007453
• Beilstein号: 1747497
• PubChem SID: 24854579; 160973053
• PubChem CID: 82408

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.8827841
• LogD (pH = 7.4): 0.8827841
• Log P: 0.8827841
• 摩尔折射率: 29.5182 cm^3
• 极化性: 12.453823 Å^3
• 极化表面积: 34.14 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: -47°C
• 沸点: 74-75 °C/19 mmHg(lit.); 74-75°C; 74-75°C/19mm; 95°C/45mm
• 闪点: 186.8 °F; 187 °F; 86 °C; 86°C(186°F)
• 自燃点: 865 °F
• 密度: 1.27; 1.27 g/mL at 25 °C(lit.); 1.270; 1.273
• 折射率: 1.453; 1.4530; 1.4560; n20/D 1.453(lit.); n20/D 1.455
• 蒸汽压: 15.5 mmHg ( 25 °C)
• 蒸汽密度: 4 (vs air)
• 疏水性(logP): -0.495

安全信息

• 保存注意事项: LACHRYMATOR, CORROSIVE; Lachrymatory/Corrosive; Moisture Sensitive
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 3265; UN3265
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 34
• 安全公开号: 26-28.1-36/37/39-45; 26-28-36/37/39-45; 26-36/37/39-45
• TSCA收录: false; 否
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314; H314-H318-H227
• GHS警示性声明: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P305 + P351 + P338-P310
• 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 3265 8/PG 2

产品相关信息

• 纯度: ≥97.0% (GC); 95%; 97%
• 级别: purum
• 线性分子式: (CH3)2CHSO2Cl

详细说明

Sigma Aldrich - 242705

包装
5, 25, 100 g in glass bottle

Sigma Aldrich - 81812

Other Notes
用于由醇（可用三乙基硼氢化物脱氧）制备磺酸酯的试剂1,2,3

参考文献

• Reductive cleavage of a secondary alcohol to methylene has been achieved by reduction of the 2-propanesulfonyl ester with lithium triethylborohydride. Reduction of the mesylate and tosylate yielded only the starting alcohol: J. Am. Chem. Soc., 107, 4088 (1985).