diethyl ethylphosphonate

• ChemBase编号: 74928
• 分子式: C6H15O3P
• 平均质量: 166.155261
• 单一同位素质量: 166.07588097
• SMILES: P(=O)(OCC)(OCC)CC
• Canonical SMILES: CCP(=O)(OCC)OCC
• InChI: InChI=1S/C6H15O3P/c1-4-8-10(7,6-3)9-5-2/h4-6H2,1-3H3
• InChIKey: AATNZNJRDOVKDD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: diethyl ethylphosphonate
• IUPAC传统名: diethyl ethylphosphonate
• 别名: 乙基磷酸二乙酯; 乙基膦酸二乙酯; Diethyl ethylphosphonate; Diethyl ethanephosphonate; Ethylphosphonic acid diethyl ester; Diethoxyethylphosphine oxide; NSC 2671; Diethyl ethylphosphonate

登记号

• CAS号: 78-38-6
• EC号: 201-111-9
• MDL号: MFCD00039888
• Beilstein号: 1756861
• PubChem SID: 162039846; 24869763
• PubChem CID: 6534

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.9636359
• LogD (pH = 7.4): 0.9636359
• Log P: 0.9636359
• 摩尔折射率: 40.5122 cm^3
• 极化性: 16.503685 Å^3
• 极化表面积: 35.53 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 82-83°C/11mm; 82-83°C/11mm
• 闪点: >392 °F; 105°C; 105°C(221°F)
• 密度: 1.024 g/mL at 20 °C(lit.); 1.025 g/ml; 1.026
• 折射率: 1.4160; n20/D 1.417

安全信息

• 保存注意事项: Harmful/Irritant
• RTECS编号: SZ7925000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); X
• 联合国危险货物编号: UN3082
• 德国WGK号: 2
• 联合国危险货物等级: 9
• 联合国危险货物包装类别(PG): III
• 危险公开号: 22-36-51/53; 22-41-51/53
• 安全公开号: 26-36/37-61; 26-39-61
• TSCA收录: 是
• GHS危险品标识: GHS07; GHS09
• GHS警示词: Danger
• GHS危险声明: H302-H318-H411; H302-H319-H313-H401-H411
• GHS警示性声明: P273-P280-P305 + P351 + P338; P280-P273-P305+P351+P338-P301+P312-P312-P501A
• RID/ADR: UN 3082 9/PG 3

产品相关信息

• 纯度: ≥98.0% (GC); 95+%; 98%
• Empirical Formula (Hill Notation): C6H15O3P

详细说明

MP Biomedicals - 05202968

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 46089

包装
100 mL in glass bottle
Application
Used as an efficient and nonflammable organic phosphate electrolyte for dye-sensitized solar cells1Catalyst for preparation of syndiotactic 1,2-polybutadiene2Additive for
• Cone calorimetry study of polymer systems flame retarded by chemically bonded phosphorus3
• Flame retardants4,5,6

参考文献

• Reaction of the lithio-derivative with diethyl carbonate followed by Wadsworth-Emmons olefination (see Appendix 1) provides a route to ɑ-methylacrylic esters in high yield: Synth. Commun., 18, 1349 (1988):