(E)-2-chloro-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate

• ChemBase编号: 126504
• 分子式: C12H14Cl3O4P
• 平均质量: 359.569921
• 单一同位素质量: 357.9695286
• SMILES: Clc1cc(Cl)ccc1/C(=C\Cl)/OP(=O)(OCC)OCC
• Canonical SMILES: CCOP(=O)(O/C(=C/Cl)/c1ccc(cc1Cl)Cl)OCC
• InChI: InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3
• InChIKey: FSAVDKDHPDSCTO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (E)-2-chloro-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate; 2-chloro-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate
• IUPAC传统名: chlorfenvinphos
• 别名: 毒虫畏 溶液; 毒虫畏; Chlorfenvinphos solution; Phosphoric Acid 2-Chloro-1-(2,4-dichlorophenyl)ethenyl Diethyl Ester; 2,4-Dichloro-α-(chloromethylene)benzyl Alcohol Diethyl Phosphate; Birlan; Birlane 10G; CVP; Defiance S; Diethyl 1-(2,4-Dichlorophenyl)-2-chlorovinyl Phosphate; Tarene; Unitox; Vinyphate; Zaprawa Enolofos; Clofenvinfos; Chlorfenvinfos; Chlorphenvinfos; Chlofenvinphos; Chlofenvinfos; Vinylphate; Apachlor; Birlane; Dermaton; Enolofos; Haptarax; Haptasol; Sapercon; Steladone; Supona; Chlorfenvinphos; Chlorfenvinphos

登记号

• CAS号: 470-90-6
• EC号: 207-432-0; 203-806-2
• MDL号: MFCD00041818
• Beilstein号: 8712900
• PubChem SID: 162220837; 24862532; 24869443
• PubChem CID: 5377791; 5377784
• Chemspider ID: 4526760
• 美国药典/FDA物质标识码: F2G9XS1W91
• 维基百科标题: Chlorfenvinphos

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.29736
• LogD (pH = 7.4): 4.29736
• Log P: 4.29736
• 摩尔折射率: 81.3825 cm^3
• 极化性: 32.351337 Å^3
• 极化表面积: 44.76 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: 145 mg/L in water
• 外观: Amber liquid
• 闪点: -.4 °F; >100 °C; >212 °F; -18 °C

安全信息

• RTECS编号: TB8750000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 环境危害性(Nature polluting) (N); 剧毒(Highly toxic) (T+); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1145; 2810
• 德国WGK号: 2; 3
• 联合国危险货物等级: 3; 6.1
• 联合国危险货物包装类别(PG): 1; 2
• 危险公开号: 11-38-50/53-65-67; 24-26-28-50/53
• 安全公开号: 28-36/37-45-60-61; 9-16-25-33-60-61-62
• GHS危险品标识: GHS02; GHS06; GHS07; GHS08; GHS09
• GHS警示词: Danger
• 半数致死量: 15 mg/kg (rat, oral)
• GHS危险声明: H225-H304-H315-H336-H410; H300 + H330-H311-H410
• GHS警示性声明: P210-P261-P273-P301 + P310-P331-P501; P260-P264-P273-P280-P284-P301 + P310
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1145 3/PG 2; UN 2810 6.1/PG 1
• 保存温度: 2-8°C

产品相关信息

• 浓度: 100 ng/μL in cyclohexane
• 级别: PESTANAL®, analytical standard
• 简要说明: mixture of cis and trans isomers; mixture of Z and E isomers
• Empirical Formula (Hill Notation): C12H14Cl3O4P

详细说明

Sigma Aldrich - 36551

法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 45828

法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH

Toronto Research Chemicals - C324360

Insecticide; acaricide.

参考文献

• Freitas, E., et al.: Exper. App. Acarol., 53, 189 (2011)
• Riviere, J., et al.: Toxicol. Sci., 119, 224 (2011)