(ethenesulfonyl)ethene

• ChemBase编号: 9852
• 分子式: C4H6O2S
• 平均质量: 118.15424
• 单一同位素质量: 118.00885043
• SMILES: S(=O)(=O)(C=C)C=C
• Canonical SMILES: C=CS(=O)(=O)C=C
• InChI: InChI=1S/C4H6O2S/c1-3-7(5,6)4-2/h3-4H,1-2H2
• InChIKey: AFOSIXZFDONLBT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (ethenesulfonyl)ethene
• IUPAC传统名: vinyl sulfone
• 别名: 乙烯砜; 二乙烯基砜; Divinyl sulfone; Diethenyl sulphone; Divinyl sulphone; Vinyl sulfone; Divinyl sulfone; (vinylsulfonyl)ethene

登记号

• CAS号: 77-77-0
• EC号: 201-057-6
• MDL号: MFCD00008623
• Beilstein号: 1071329
• PubChem SID: 160973159; 24900744; 24867488
• PubChem CID: 6496

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.163724
• LogD (pH = 7.4): 0.163724
• Log P: 0.163724
• 摩尔折射率: 27.6062 cm^3
• 极化性: 11.80689 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

• 熔点: -26 °C(lit.); -26°C; ca -26°C
• 沸点: 233-234°C; 233-234°C; 234 °C(lit.)
• 闪点: 102 °C; 102°C; 102°C(215°F); 215.6 °F; 216 °F
• 密度: 1.0177; 1.177; 1.177 g/mL at 25 °C(lit.)
• 折射率: 1.476; 1.4760; n20/D 1.476(lit.); n20/D 1.477

安全信息

• 保存注意事项: TOXIC, CORROSIVE; Very Toxic/Irritant/Corrosive/Carcinogenic/Light Sensitive/Keep Cold
• RTECS编号: KM7175000
• 欧盟危险性物质标志: 剧毒(Highly toxic) (T+)
• 联合国危险货物编号: 2810; UN2927
• 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: 25-27-34; 25-27-36/37/38
• 安全公开号: 20-23-26-27/28-36/37/39-45-60; 26-28.1-36/37-45; 26-28-36/37-45
• TSCA收录: false; 否
• GHS危险品标识: GHS05; GHS06
• GHS警示词: Danger
• GHS危险声明: H300 + H310-H315-H318-H335; H300-H310-H314-H318
• GHS警示性声明: P261-P264-P280-P301 + P310-P302 + P350-P305 + P351 + P338; P280-P262-P305+P351+P338-P309-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 2810 6.1/PG 1
• 保存温度: 2-8°C

药理学性质

• 相关基因信息: human ... LOC129293(129293)

产品相关信息

• 纯度: ≥98.0% (GC); 97%; 97%, stab. with 0.05% hydroquinone; 98%
• 级别: purum
• 其他组分: ~0.05% hydroquinone as stabilizer; <650 ppm hydroquinone as inhibitor
• 线性分子式: (CH2=CH)2SO2

详细说明

Apollo Scientific Ltd - OR10898

Stabilised with hydroquinone

Sigma Aldrich - V3700

包装
5, 25, 100 g in glass bottle

参考文献

• Reactive dienophile and Michael acceptor. Reacts with oximes to give bicyclic products derived from dipolar cycloaddition of a transient nitrone intermediate: Tetrahedron Lett., 29, 2417 (1988):
  
• In the presence of thiazolium salt catalysts (see 3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride, L08750), the Stetter reaction with aldehydes gives 1,4-diketones by loss of SO₂ from the intermediate dialkyl sulfone: Chem. Ber., 114, 1226 (1981); for a related example, see Phenyl vinyl sulfone, A14794. Cyclization of the 1,4-diones derived from pyrrole-, furan- and thiophene-2-carboxaldehydes provides a route to polypyrroles and analogues as potential porphyrin-type subunits: J. Org. Chem., 55, 2904 (1990).