diphosphooxidane; methanesulfonic acid

• ChemBase编号: 158679
• 分子式: CH4O8P2S
• 平均质量: 238.050182
• 单一同位素质量: 237.91021135
• SMILES: CS(=O)(=O)O.O=P(=O)OP(=O)=O
• Canonical SMILES: CS(=O)(=O)O.O=P(=O)OP(=O)=O
• InChI: InChI=1S/CH4O3S.O5P2/c1-5(2,3)4;1-6(2)5-7(3)4/h1H3,(H,2,3,4)
• InChIKey: JHNLZOVBAQWGQU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: diphosphooxidane; methanesulfonic acid
• IUPAC传统名: diphosphooxidane; methanesulfonic acid
• 别名: 五氧化二磷，7.7重量% 的甲磺酸溶液; 伊顿试剂; Phosphorus pentoxide, 7.7 wt. % in methanesulfonic acid; Eaton′s Reagent; Phosphorus pentoxide, 7.5 wt % in methanesulfonic acid; Eaton's Reagent

登记号

• CAS号: 39394-84-8
• MDL号: MFCD00070545
• PubChem SID: 24863771; 162252815
• PubChem CID: 16149098

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.4728
• LogD (pH = 7.4): -0.4728
• Log P: -0.4728
• 摩尔折射率: 20.7938 cm^3
• 极化性: 8.441127 Å^3
• 极化表面积: 77.51 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: 122 °C/1 mmHg
• 闪点: >110°C(230°F); 113 °C; 235.4 °F
• 密度: 1.5 g/mL at 25 °C; 1.515
• 折射率: 1.4350; n20/D 1.435

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); X
• 联合国危险货物编号: 2922; UN3265
• 德国WGK号: 1
• 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: 22-34; 34
• 安全公开号: 26-36/37/39-45
• TSCA收录: 否
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H314; H314-H318-H302
• GHS警示性声明: P280-P305 + P351 + P338-P310; P280-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 2922 8/PG 2

产品相关信息

• 纯度: P2O5 ca 7.5% w/w

详细说明

Sigma Aldrich - 380814

包装
100, 500 mL in glass bottle

参考文献

• Lower viscosity alternative to polyphosphoric acid for dehydration and cyclization reactions. Gives high yields in the Beckmann rearrangement: J. Org. Chem., 35, 4071 (1973). For an example of cyclodehydration, see: J. Chem. Soc., Perkin 1, 2956 (1981).
• For further examples and discussion of the utility of this reagent, see: Encyclopedia of Reagents for Organic Synthesis, L. A. Paquette, Ed., Wiley, Chichester (1995), vol. 6, p. 4129.