trimethyl phosphate

• ChemBase编号: 89800
• 分子式: C3H9O4P
• 平均质量: 140.074921
• 单一同位素质量: 140.0238454
• SMILES: P(=O)(OC)(OC)OC
• Canonical SMILES: COP(=O)(OC)OC
• InChI: InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3
• InChIKey: WVLBCYQITXONBZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: trimethyl phosphate
• IUPAC传统名: trimethyl phosphate
• 别名: 磷酸三甲酯; TRIMETHYL PHOSPHATE; TMP; TMPA; TMPO; Trimethyl phosphate; Phosphoric acid trimethyl ester; Trimethyl phosphate 97%; phosphoric acid trimethyl ester; TMP; methyl phosphate,; trimethoxyphosphine oxide; trimethyl orthophosphate

登记号

• CAS号: 512-56-1
• EC号: 208-144-8
• MDL号: MFCD00008348
• Beilstein号: 1071731
• PubChem SID: 24854454; 24847552; 162076656; 24889694
• PubChem CID: 10541
• CHEBI ID: 46324
• Chemspider ID: 10101
• 维基百科标题: Trimethyl_phosphate

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.113778345
• LogD (pH = 7.4): 0.113778345
• Log P: 0.113778345
• 摩尔折射率: 28.0988 cm^3
• 极化性: 11.830402 Å^3
• 极化表面积: 44.76 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: water
• 外观: Colorless liquid
• 熔点: -46 °C; -46 °C(lit.); -46°C; -46°C
• 沸点: 196-198°C; 197 °C; 197 °C(lit.); 197°C
• 闪点: >150°C(302°F); 150 °C; 302 °F
• 密度: 1.197; 1.197 g/mL at 25 °C(lit.); 1.213; 1.97 g/ml
• 折射率: 1.395; 1.3970; n20/D 1.395(lit.); n20/D 1.397

安全信息

• 保存注意事项: Moisture Sensitive; Toxic/Moisture Sensitive
• RTECS编号: TC8225000
• 欧盟危险性物质标志: 有毒(Toxic) (T); 有害性(Harmful) (Xn)
• 德国WGK号: 1
• 危险公开号: 46-22-36/38-40; 46-22-40; R:40/22; R22,R36/37/38
• 安全公开号: 53-36/37-45; 53-45; S:36/37/39-53; S36/37,S45
• TSCA收录: 是
• GHS危险品标识: GHS07; GHS08
• GHS警示词: Danger; Warning
• NFPA704:
  

  1

  2

  0
• GHS危险声明: H302-H340-H351; H302-H351; H340-H351-H302-H315-H319
• GHS警示性声明: P201-P281-P308 + P313; P201-P309-P310; P281
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: ≥95.0%; ≥97.0% (GC); ≥99%; 97%; 98+%
• 级别: purum; SAJ first grade
• 线性分子式: (CH3O)3PO

详细说明

Sigma Aldrich - 132195

包装
1 kg in poly bottle
250 g in poly bottle

Sigma Aldrich - 241024

包装
50 g in poly bottle

参考文献

• Alternative to dimethyl sulfate for preparation of methyl esters of hindered carboxylic acids: Chem. Ind. (London), 1002 (1973). Used in N,N-dimethylation of aromatic amines, avoiding quaternization: Org. Synth. Coll., 5, 1085 (1973), and in N-methylation of nitrogen heterocycles, e.g. pyrimidines and imidazoles: J. Chem. Soc., Perkin 1, 391, 2506 (1973).