ethyl 3,5,6-trichloropyridin-2-yl ethoxy(sulfanylidene)phosphonite

• ChemBase编号: 126548
• 分子式: C9H11Cl3NO3PS
• 平均质量: 350.586301
• 单一同位素质量: 348.92628389
• SMILES: Clc1c(OP(=S)(OCC)OCC)nc(Cl)c(Cl)c1
• Canonical SMILES: CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC
• InChI: InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
• InChIKey: SBPBAQFWLVIOKP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 3,5,6-trichloropyridin-2-yl ethoxy(sulfanylidene)phosphonite
• IUPAC传统名: terial
• 别名: 毒死蜱 溶液; 乐斯本; 毒死蜱; 毒死蜱 溶液; 氯蜱硫磷 溶液; 毒死蜱; Phosphorothioic Acid O,O-Diethyl O-(3,5,6-Trichloro-2-pyridinyl)ester; Dowco 179; ENT-27311; Affront; Dursban; Empire; Pyrinex; Chlorpyrifos solution; Brodan; Detmol Un; Dowco 179, Dursban; Empirn; Eraden; Lorsban; Paqeann; Piridann; Scoun; Stipend and Tricel.; Chlorpyrifos; Chlorpyriphos; Chlorpyrifos; Chlorpyrifos solution; Chloropyrifos solution; Chlorpyrifos; Dursban

登记号

• CAS号: 2921-88-2
• EC号: 220-864-4
• MDL号: MFCD00041800
• Beilstein号: 1545756
• PubChem SID: 24871734; 162220880; 24868870; 24869446; 24867915
• PubChem CID: 2730
• CHEBI ID: 34631
• CHEMBL: 463210
• Chemspider ID: 2629
• KEGG ID: D07688
• 美国药典/FDA物质标识码: JCS58I644W
• 维基百科标题: Chlorpyrifos

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.7843184
• LogD (pH = 7.4): 4.7843184
• Log P: 4.7843184
• 摩尔折射率: 78.9968 cm^3
• 极化性: 31.491173 Å^3
• 极化表面积: 40.58 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: 2 mg/L (25 °C) in water; Chloroform; Ethanol; Methanol
• 外观: colourless crystals; Off-White to Light Tan Solid
• 熔点: 36-38°C; 42 °C
• 闪点: 2 °C; -27.4 °F; -33 °C; 35.6 °F
• 密度: 1.398 g/cm^3 (43.5 °C)
• 分配系数: 4.96 (octanol/water)

安全信息

• 保存条件: -20°C Freezer, Under Inert Atmosphere
• RTECS编号: TF6300000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 环境危害性(Nature polluting) (N); 有毒(Toxic) (T); 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1648; 2398; 2811
• 德国WGK号: 1; 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): 2; 3
• 危险公开号: 11-20/21/22-36-50/53; 11-38-50/53; 25-50/53
• 安全公开号: 16-26-36/37-61; 16-61; 45-60-61
• GHS危险品标识: GHS02; GHS06; GHS07; GHS09
• GHS警示词: Danger
• GHS危险声明: H225-H302-H312-H319-H332-H410; H225-H315-H410; H301-H410
• GHS警示性声明: P210-P273-P280-P305 + P351 + P338-P501; P210-P273-P501; P273-P301 + P310-P501
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 1648 3/PG 2; UN 2398 3/PG 2; UN 2811 6.1/PG 3
• 保存温度: 2-8°C

产品相关信息

• 浓度: 100 ng/μL in acetonitrile; 1000 μg/mL in methyl tert-butyl ether
• 级别: analytical standard; certified reference material; PESTANAL®, analytical standard; TraceCERT®
• 包装: ampule of 1 mL; ampule of 100 mg
• 有效期: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C9H11Cl3NO3PS

详细说明

Sigma Aldrich - 94114

General description
Certified content by quantitative NMR incl. uncertainty and expiry are given in the certificate.Download your certificate at: http://www.sigma-aldrich.com.
法律信息
TraceCERT 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 31553

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

Sigma Aldrich - 45395

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

Toronto Research Chemicals - C425300

Insecticide; acaricide.

参考文献

• Smith, G.N., et al.: J. Agric. Food Chem., 15, 132 (1967)
• Schafer, et al.: Toxicol. Appl. Pharmacol., 21, 315 (1972)