(phenyldisulfanyl)benzene

• ChemBase编号: 7877
• 分子式: C12H10S2
• 平均质量: 218.3378
• 单一同位素质量: 218.02239232
• SMILES: S(Sc1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)SSc1ccccc1
• InChI: InChI=1S/C12H10S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H
• InChIKey: GUUVPOWQJOLRAS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (phenyldisulfanyl)benzene
• IUPAC传统名: diphenyl disulfide
• 别名: 二硫化二苯; 二苯二硫醚; 二苯基二硫; 二苯基二硫醚; Diphenyl disulfide; Phenyl disulfide; Diphenyl disulfide; PHENYL DISULFIDE; Phenyl disulfide; Diphenyl disulfide; Diphenyl disulphide

登记号

• CAS号: 882-33-7
• EC号: 212-926-4
• MDL号: MFCD00003065
• Beilstein号: 639794
• PubChem SID: 24901566; 24850260; 160971184; 24866872
• PubChem CID: 13436
• CHEMBL: 462861
• Chemspider ID: 12861
• FEMA编号: 3225
• 维基百科标题: Diphenyl_disulfide
• 欧洲委员会编号: 11757
• Flavis Number: 12.043

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.573745
• LogD (pH = 7.4): 4.573745
• Log P: 4.573745
• 摩尔折射率: 62.4602 cm^3
• 极化性: 26.08982 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Diethyl ether,; Benzene,; Carbon disulfide,; THF; Insoluble in water
• 外观: Colourless crystals
• 熔点: 58-60 °C; 58-60 °C(lit.); 58-60°C; 58-62°C; 61–62 °C
• 沸点: 310°C
• 密度: ? g/cm^3; 1.353
• 感官: earthy; sulfurous

安全信息

• 保存注意事项: Irritant; IRRITANT, STENCH
• RTECS编号: SS6825000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26; 26-37
• TSCA收录: true; 是
• GHS危险品标识: GHS07; GHS09
• GHS警示词: Warning
• 主要危害: Flammable
• GHS危险声明: H315-H319-H335; H315-H319-H335-H400
• GHS警示性声明: P261-P273-P305 + P351 + P338; P280G-P305+P351+P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

药理学性质

• 过敏源: no known allergens

产品相关信息

• 纯度: ≥97.0% (HPLC); ≥98%; 98%; 99%
• 级别: Halal; Kosher; technical
• 线性分子式: C6H5SSC6H5

详细说明

MP Biomedicals - 05221891

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 169021

包装
10, 50, 250 g in poly bottle

Sigma Aldrich - W322504

包装
1 kg in glass bottle
100 g in glass bottle

Sigma Aldrich - 42960

Other Notes
用于羰基化合物的 α-苯基亚磺酰化反应的试剂1

参考文献

• Also sulfenylates organolithium reagents from, e.g. lithiated furans: J. Org. Chem., 46, 2473 (1981).
• Sulfenylation agent for enolates of ketones, esters or carboxylic acid dianions: J. Am. Chem. Soc., 95, 6840 (1973); 98, 4887 (1976); Chem. Rev., 78, 363 (1978). Oxidation to the sulfoxide and thermal elimination can be used for the conversion of ketones to enones via thermal sulfoxide elimination, less frequently used than the selenoxide route (cf preceding entry), due to the higher temperatures required.
• Alkyl halides under phase-transfer conditions give alkyl phenyl sulfides in good yields,: Synth. Commun., 12, 595 (1982), and alkenyl halides in the presence of CuI give alkenyl sulfides: Chem. Lett., 769 (1989).
• For use as a catalyst in the photochemical cis-trans isomerization of olefins (used in the synthesis of the macrolide ricinelaidic acid lactone), see: Org. Synth. Coll., 7, 470 (1990).