methylphosphonoyl dichloride

• ChemBase编号: 130271
• 分子式: CH3Cl2OP
• 平均质量: 132.913681
• 单一同位素质量: 131.92985671
• SMILES: ClP(=O)(Cl)C
• Canonical SMILES: CP(=O)(Cl)Cl
• InChI: InChI=1S/CH3Cl2OP/c1-5(2,3)4/h1H3
• InChIKey: SCLFRABIDYGTAZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methylphosphonoyl dichloride
• IUPAC传统名: methyl phosphonic dichloride
• 别名: 二氯甲基膦; Dichloromethylphosphine oxide; Methanephosphonyl chloride; Methylphosphonodichloridic acid; Methylphosphonyl chloride; Methylphosphonyl dichloride; Methylphosphonic dichloride; Methyl phosphonic dichloride; Methanephosphonic dichloride

登记号

• CAS号: 676-97-1
• EC号: 211-634-4
• MDL号: MFCD00002071
• Beilstein号: 1071305
• PubChem SID: 24853672; 24883210; 162224550
• PubChem CID: 12671
• Chemspider ID: 12150
• 维基百科标题: Methyl_phosphonic_dichloride

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.7424308
• LogD (pH = 7.4): 0.7424308
• Log P: 0.7424308
• 摩尔折射率: 24.3214 cm^3
• 极化性: 9.872593 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 28-34°C; 31-34 °C; 35-37 °C
• 沸点: 163 °C(lit.); 59-60°C/11mm
• 闪点: >110°C(230°F); 110 °C; 230 °F
• 密度: 1.468; 1.468 g/mL at 25 °C(lit.)
• 蒸汽压: 760 mmHg ( 163 °C)

安全信息

• 保存注意事项: Moisture Sensitive
• RTECS编号: TA1840000
• 欧盟危险性物质标志: 剧毒(Highly toxic) (T+)
• 联合国危险货物编号: 3390; UN2928
• 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; II
• 危险公开号: 14-26-34
• 安全公开号: 26-28-36/37/39-45; 26-36/37/39-45
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS06
• GHS警示词: Danger
• GHS危险声明: H314-H330; H330-H314-H318
• GHS警示性声明: P260-P280-P284-P305 + P351 + P338-P310; P260-P303+P361+P353-P304+P340-P305+P351+P338-P320-P405-P501A
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 3390 6.1/PG 1
• 欧盟补充危害声明: Contact with water liberates toxic gas., Reacts violently with water.; Reacts violently with water.

产品相关信息

• 纯度: ≥97.0% (AT); 98%
• 级别: technical
• 线性分子式: CH3P(O)Cl2

详细说明

Sigma Aldrich - 228052

包装
5, 25 g in glass bottle
Application
与氨基苯1,2和醇发生缩合反应。3

参考文献

• Precursor of bis(2,2,2-trifluoroethyl) carboxymethylphosphonate, a useful intermediate for the Horner-Wadsworth-Emmons synthesis of (Z)-acrylates: Tetrahedron Lett., 24, 4405 (1983); Org. Synth.Coll., 9, 88 (1998).