[(3,3-dimethylbutan-2-yl)oxy](methyl)phosphinoyl fluoride

• ChemBase编号: 129580
• 分子式: C7H16FO2P
• 平均质量: 182.1729042
• 单一同位素质量: 182.0871946
• SMILES: FP(=O)(OC(C)C(C)(C)C)C
• Canonical SMILES: CC(C(C)(C)C)OP(=O)(F)C
• InChI: InChI=1S/C7H16FO2P/c1-6(7(2,3)4)10-11(5,8)9/h6H,1-5H3
• InChIKey: GRXKLBBBQUKJJZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(3,3-dimethylbutan-2-yl)oxy](methyl)phosphinoyl fluoride
• IUPAC传统名: (3,3-dimethylbutan-2-yl)oxy(methyl)phosphinoyl fluoride
• 别名: GD; Phosphonofluoridic acid, methyl-, 1, 2, 2-trimethylpropyl ester; 2-(Fluoromethylphosphoryl)oxy-3,3-dimethylbutane; Pinacolyl methylphosphonofluoridate; 1,2,2-Trimethylpropyl methylphosphonofluoridate; Methylpinacolyloxyfluorophosphine oxide; Pinacolyloxymethylphosphonyl fluoride; Pinacolyl methanefluorophosphonate; Methylfluoropinacolylphosphonate; Fluoromethylpinacolyloxyphosphine oxide; Methylpinacolyloxyphosphonyl fluoride; Pinacolyl methylfluorophosphonate; 1,2,2-Trimethylpropoxyfluoromethylphosphine oxide; Soman

登记号

• PubChem SID: 162223870
• PubChem CID: 7305
• CHEMBL: 15910
• Chemspider ID: 7032
• 维基百科标题: Soman

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.0755413
• LogD (pH = 7.4): 2.0755413
• Log P: 2.0755413
• 摩尔折射率: 43.1581 cm^3
• 极化性: 17.394943 Å^3
• 极化表面积: 26.3 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: Moderate in water
• 外观: When pure, colorless liquid with fruity odor. With impurities, amber or dark brown, with oil of camphor odor
• 熔点: -42°C
• 沸点: 198°C
• 密度: 1.022 g/cm3
• 蒸汽压: 0.40 mmHg (53 Pa)

安全信息

• 主要危害: Toxic
• NFPA704:
  

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