(dimethylamino)phosphonoyl dichloride

• ChemBase编号: 127088
• 分子式: C2H6Cl2NOP
• 平均质量: 161.954901
• 单一同位素质量: 160.95640581
• SMILES: CN(C)P(=O)(Cl)Cl
• Canonical SMILES: CN(P(=O)(Cl)Cl)C
• InChI: InChI=1S/C2H6Cl2NOP/c1-5(2)7(3,4)6/h1-2H3
• InChIKey: YNHXBEVSSILHPI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (dimethylamino)phosphonoyl dichloride
• IUPAC传统名: dimethylaminophosphonoyl dichloride
• 别名: 二甲基氨基二氯化磷; N,N-二甲基磷氨基二氯化物; (Dimethylamido)phosphoryl dichloride; N,N-Dimethylphosphoramidodichloridate; Dimethylamidophosphoric dichloride; Dimethylaminophosphoryl dichloride; N,N-Dimethylphosphoramic dichloride; N,N-Dimethylphosphoramidodichloridate; DMPADC; Dimethylamidophosphoric dichloride; N,N-Dimethylphosphoramic dichloride

登记号

• CAS号: 677-43-0
• EC号: 211-641-2
• MDL号: MFCD00013896
• Beilstein号: 969956
• PubChem SID: 24887489; 162221411
• PubChem CID: 12673
• 维基百科标题: Dimethylamidophosphoric_dichloride

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.38316494
• LogD (pH = 7.4): 0.38316497
• Log P: 0.38316497
• 摩尔折射率: 33.1241 cm^3
• 极化性: 12.833771 Å^3
• 极化表面积: 20.31 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: <0 °C
• 沸点: 77-79 °C/11 mmHg(lit.); 89-90°C/20mm
• 闪点: >110°C(230°F)
• 密度: 1.360; 1.362 g/mL at 20 °C(lit.)
• 折射率: 1.4630; n20/D 1.464

安全信息

• 保存注意事项: Moisture Sensitive
• RTECS编号: TB4025000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 环境危害性(Nature polluting) (N); 有毒(Toxic) (T)
• 联合国危险货物编号: 3265; UN3265
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 3; II
• 危险公开号: 34; 34-37
• 安全公开号: 20-26-36/37/39-45; 26-36/37/39
• TSCA收录: 否
• GHS危险品标识: GHS05
• GHS警示词: Danger
• NFPA704:
  

  3

  3

  2

  W
• GHS危险声明: H314; H314-H318
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-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 3265 8/PG 3
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.0% (AT); 97%
• 线性分子式: (CH3)2NP(O)Cl2

详细说明

Sigma Aldrich - 79625

Other Notes
用于活化羧酸的试剂1,2
包装
10 mL in glass bottle

参考文献

• In the presence of pyridine, carboxylic acids form active intermediates which react with alcohols in situ to give esters: Tetrahedron Lett., 4461 (1978). Has also been used to convert primary alcohols to alkyl chlorides: Chem. Lett., 923 (1978).
• With 1,2-diols forms cyclic phosphoric amides which can be reduced to alkenes, e.g. with Na in xylene: Synth. Commun., 5, 293 (1975).