benzeneseleninyl benzeneseleninate

• ChemBase编号: 139865
• 分子式: C12H10O3Se2
• 平均质量: 360.126
• 单一同位素质量: 361.89603618
• SMILES: c1ccc(cc1)[Se](=O)O[Se](=O)c1ccccc1
• Canonical SMILES: O=[Se](c1ccccc1)O[Se](=O)c1ccccc1
• InChI: InChI=1S/C12H10O3Se2/c13-16(11-7-3-1-4-8-11)15-17(14)12-9-5-2-6-10-12/h1-10H
• InChIKey: FHPZOWOEILXXBD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: benzeneseleninyl benzeneseleninate
• IUPAC传统名: benzeneseleninyl benzeneseleninate
• 别名: 苯亚硒酸酐; Benzeneseleninic acid anhydride; Phenylseleninic anhydride; Benzeneseleninic anhydride

登记号

• CAS号: 17697-12-0
• EC号: 241-701-3
• MDL号: MFCD00001991
• Beilstein号: 2332406
• PubChem SID: 24852763; 162234113
• PubChem CID: 87253

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.0674
• LogD (pH = 7.4): 3.0674
• Log P: 3.0674
• 摩尔折射率: 81.4144 cm^3
• 极化性: 22.042776 Å^3
• 极化表面积: 43.37 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 163-165°C (lit); 165-170 °C; 165-170 °C(lit.)

安全信息

• 保存注意事项: Moisture Sensitive
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有毒(Toxic) (T)
• 联合国危险货物编号: 3283; UN3283
• 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): 2; II
• 危险公开号: 23/25-33-50/53
• 安全公开号: 20/21-28-45-60-61; 45-61
• TSCA收录: 否
• GHS危险品标识: GHS06; GHS08; GHS09
• GHS警示词: Danger
• GHS危险声明: H301-H330-H373-H410; H301-H331-H373-H400-H410; H301-H331-H373-H410
• GHS警示性声明: P260-P273-P284-P301 + P310-P310-P501; P261-P273-P301 + P310-P311-P501; P273-P270-P302+P352-P309-P310-P501A
• 个人保护装置: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 3283 6.1/PG 2

产品相关信息

• 纯度: ≥98.0% (T); 70%; tech. 70%
• 级别: purum
• 杂质: <30% benzeneseleninic acid
• 线性分子式: C6H5SeOOSeOC6H5

详细说明

Sigma Aldrich - 213012

包装
1, 5 g in glass bottle

Sigma Aldrich - 12590

Other Notes
温和氧化剂1

参考文献

• Selective oxidant which converts benzylic alcohols to aldehydes in high yield: J. Chem. Soc., Chem. Commun., 952 (1978); Tetrahedron Lett., 3331 (1979); J. Org. Chem., 46, 1442 (1981). Oxidizes phenols to o-quinones: J. Chem. Soc., Perkin 1, 1473 (1981): Tetrahedron, 44, 6397 (1988):
  
• Reagent for the dehydrogenation of ketones to ɑ?-enones and of cyclic enones to dienones: J. Chem. Soc., Perkin 1, 2209 (1980); J. Chem. Soc., Chem. Commun., 1044 (1981). δ-Lactones are also converted to their ɑ?-unsaturated derivatives: J. Chem. Soc., Perkin 1, 1919 (1982). Hydrazines can be converted to azo compounds; hydrazine itself gives diimide: J. Org. Chem., 46, 1564 (1981). 3-Substituted indolines give indoles: J. Chem. Soc., Perkin 1, 707 (1990).
• Monograph: Organoselenium Chemistry, D. Liotta, Ed., Wiley, N.Y. (1987).