dimethyl methylphosphonate

• ChemBase编号: 74984
• 分子式: C3H9O3P
• 平均质量: 124.075521
• 单一同位素质量: 124.02893078
• SMILES: P(=O)(OC)(OC)C
• Canonical SMILES: COP(=O)(OC)C
• InChI: InChI=1S/C3H9O3P/c1-5-7(3,4)6-2/h1-3H3
• InChIKey: VONWDASPFIQPDY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dimethyl methylphosphonate
• IUPAC传统名: dimethyl methylphosphonate
• 别名: 甲基膦酸二甲酯; 甲基磷酸二甲酯; Dimethyl methylphosphonate; Dimethoxymethyl phosphine oxide; Fyrol DMMP; Methanephosphonic acid dimethyl ester; NSC 62240; Reoflam DMMP; Dimethyl methylphosphonate; DMMP; Methylphosphonic acid dimethyl ester; DIMETHYLMETHYLPHOSPHONATE

登记号

• CAS号: 756-79-6
• EC号: 212-052-3
• MDL号: MFCD00008349
• Beilstein号: 878263
• 默克索引号: 143391
• PubChem SID: 162039902; 24893515; 24883205
• PubChem CID: 12958
• Chemspider ID: 12418
• 维基百科标题: Dimethyl_methylphosphonate

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -0.11216304
• LogD (pH = 7.4): -0.11216304
• Log P: -0.11216304
• 摩尔折射率: 26.1426 cm^3
• 极化性: 11.052001 Å^3
• 极化表面积: 35.53 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

• 外观: colorless liquid
• 熔点: -50°C
• 沸点: 180-181°C; 181 °C(lit.); 181°C
• 闪点: 156.2 °F; 68°C; 68°C(154°F); 69 °C
• 密度: 1.145 g/ml; 1.145 g/mL at 25 °C(lit.); 1.16
• 折射率: 1.413; 1.4130; n20/D 1.413; n20/D 1.413(lit.)
• 蒸汽压: <0.1 mmHg ( 20 °C)

安全信息

• 保存注意事项: Harmful/Carcinogenic/Mutagenic/Teratogenic/Irritant
• RTECS编号: SZ9120000
• 欧盟危险性物质标志: 有毒(Toxic) (T); 刺激性(Irritant) (Xi)
• 德国WGK号: 2; 3
• 危险公开号: 46-36; 46-36-52/53; R:36/37/38
• 安全公开号: 53-26-45; 53-45-61; S:20-25-26-37/39
• TSCA收录: 是
• GHS危险品标识: GHS07; GHS08
• GHS警示词: Warning
• GHS危险声明: H319-H332; H340-H319-H227-H402-H412
• GHS警示性声明: P210-P280-P281-P305+P351+P338-P405-P501A; P305 + P351 + P338
• 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: ≥97.0% (GC); 97%
• 级别: purum
• 线性分子式: CH3P(O)(OCH3)2

详细说明

MP Biomedicals - 05204081

NOT FOR EXPORT

Sigma Aldrich - D169102

包装
100, 500 g in poly bottle
5 g in glass bottle
Application
Used to test SXFA-coated SAW chemical sensors for organophosphorous compound detectionUsed as a chemical agent simulant for testing of protective performance of PSS membranes and functionalized sorbent membranesReactant for photocatalytic oxidationAdditive for synthesis of:
• Flame retardant high phosphorous containing unsaturated polyester resin
• UV-cured epoxy acrylate / microencapsulated phase change material
用于将酯转化为酮膦酸酯的试剂。1,2,3

Sigma Aldrich - 64258

Other Notes
简便的 Wittig-Horner 试剂7,8
Application
Used to test SXFA-coated SAW chemical sensors for organophosphorous compound detection1Used as a chemical agent simulant for testing of protective performance of PSS membranes2 and functionalized sorbent membranes3Reactant for photocatalytic oxidation4Additive for synthesis of:
• Flame retardant high phosphorous containing unsaturated polyester resin5
• UV-cured epoxy acrylate / microencapsulated phase change material6

参考文献

• See also Diethyl methylphosphonate, A14772 and Appendix 1.
• The lithio-derivative reacts with esters to give ?-ketophosphonates, useful precursors of ɑ?-unsaturated ketones by Horner-Wadsworth-Emmons olefination: J. Am. Chem. Soc., 88, 5654 (1966). An intramolecular version leads to cyclopentenones: Synth. Commun., 5, 1 (1975); Tetrahedron Lett., 22, 257 (1981). Dimethyl glutarate gives the 3-(phosphonatomethyl)cyclohexenone, olefination of which affords the corresponding 3-alkenylcycloalkenone. Dimethyl succinate also gives this reaction, but in lower yield; higher diesters give acyclic products: J. Org. Chem., 59, 1943 (1994):