(chlorosulfanyl)(methoxy)methanone

• ChemBase编号: 149645
• 分子式: C2H3ClO2S
• 平均质量: 126.56202
• 单一同位素质量: 125.95422802
• SMILES: COC(=O)SCl
• Canonical SMILES: COC(=O)SCl
• InChI: InChI=1S/C2H3ClO2S/c1-5-2(4)6-3/h1H3
• InChIKey: TXJXPZVVSLAQOQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (chlorosulfanyl)(methoxy)methanone
• IUPAC传统名: (chlorosulfanyl)(methoxy)methanone
• 别名: S-氯 O-硫代碳酸甲酯; 甲氧基羰基磺酰氯; S-Chloro O-methyl thiocarbonate; Methoxycarbonylsulfenyl chloride

登记号

• CAS号: 26555-40-8
• EC号: 247-801-3
• MDL号: MFCD00013648
• Beilstein号: 1849908
• PubChem SID: 162243808; 24862075
• PubChem CID: 123417

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.5236737
• LogD (pH = 7.4): 1.5236737
• Log P: 1.5236737
• 摩尔折射率: 25.9193 cm^3
• 极化性: 10.337687 Å^3
• 极化表面积: 26.3 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: 133-134 °C(lit.); 73-74°C/100mm
• 闪点: 129.2 °F; 54 °C; 54°C(129°F)
• 密度: 1.398; 1.399 g/mL at 25 °C(lit.)
• 折射率: 1.4820; n20/D 1.481(lit.)

安全信息

• 保存注意事项: 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: 2920; UN2920
• 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: 10-34
• 安全公开号: 26-36/37/39-45
• TSCA收录: 否
• GHS危险品标识: GHS02; GHS05
• GHS警示词: Danger
• GHS危险声明: H226-H314; H314-H318-H226
• GHS警示性声明: P210-P241-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 2920 8/PG 2
• 保存温度: 2-8°C

产品相关信息

• 纯度: 95%; 97%
• 线性分子式: CH3OCOSCl

详细说明

Sigma Aldrich - 359408

包装
1, 5 mL in glass bottle

参考文献

• Reacts with arenes under Friedel-Crafts conditions to give S-aryl thiocarbonates, thus providing a method for the introduction of the thiol group into an aromatic ring: Z. Chem., 17, 411 (1977).
• Reaction of the same intermediate with KO-t-Bu provides a route to trisulfides. Cyclic trisulfides can also be prepared: J. Org. Chem., 44, 4144 (1979).
• Reagent for the preparation of unsymmetrical disulfides, by successive reaction with different thiols: Helv. Chim. Acta, 56, 1370 (1973):