diethyl ({[(4-chlorophenyl)sulfanyl]methyl}sulfanyl)(sulfanylidene)phosphonite

• ChemBase编号: 126416
• 分子式: C11H16ClO2PS3
• 平均质量: 342.865301
• 单一同位素质量: 341.97385706
• SMILES: Clc1ccc(SCSP(=S)(OCC)OCC)cc1
• Canonical SMILES: CCOP(=S)(OCC)SCSc1ccc(cc1)Cl
• InChI: InChI=1S/C11H16ClO2PS3/c1-3-13-15(16,14-4-2)18-9-17-11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3
• InChIKey: VEDTXTNSFWUXGQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: diethyl ({[(4-chlorophenyl)sulfanyl]methyl}sulfanyl)(sulfanylidene)phosphonite
• IUPAC系统名: S-[[(4-chlorophenyl)thio]methyl] O,O-diethyl phosphorodithioate
• IUPAC传统名: carbophenothion
• 别名: S-(4-氯苯基硫代甲基)-O,O-二乙基二硫代磷酸酯; 三硫磷; Phosphorodithioic Acid S-[[(4-Chlorophenyl)thio]methyl] O,O-diethyl Ester; Phosphorodithioic Acid S-[[(p-Chlorophenyl)thio]methyl] O,O-diethyl Ester; Acarithion; Carbofenothion; Carbofenotion; Carbofenthion; ENT 23,708; Ethyl Carbophenothion; Garrathion; Hexathion; NSC 231691; O,O-Diethyl S-(p-Chlorophenylthio)methyl phosphorodithioate; Oleoakarithion; R 1303; S-[[(p-Chlorophenyl)thio]methyl] O,O-Diethyl phosphorodithioate; Trithion; S-(4-Chlorophenylthiomethyl) O,O-diethyl phosphorodithioate; Carbophenothion; Stauffer R 1303; Carbophenothion

登记号

• CAS号: 786-19-6
• EC号: 212-324-1
• MDL号: MFCD00128009
• Beilstein号: 1885240
• PubChem SID: 162220750; 24868746
• PubChem CID: 13081
• CHEBI ID: 554299
• CHEMBL: 452866
• Chemspider ID: 12536
• 美国药典/FDA物质标识码: 998NGA2Q61
• 维基百科标题: Carbophenothion

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.8915477
• LogD (pH = 7.4): 4.8915477
• Log P: 4.8915477
• 摩尔折射率: 88.8824 cm^3
• 极化性: 35.622448 Å^3
• 极化表面积: 18.46 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Insoluble in water
• 闪点: -18°C (-0.399999999999999°F)

安全信息

• RTECS编号: TD5250000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有毒(Toxic) (T)
• 联合国危险货物编号: 2810
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 24/25-50/53; R11 R24/25 R38 R50/53 R65 R67
• 安全公开号: 28-36/37-45-60-61; S28 S36/37 S45 S60 S61 S62
• GHS危险品标识: GHS environment; GHS02; GHS06; GHS09
• GHS警示词: Danger
• GHS危险声明: H301-H311-H410
• GHS警示性声明: P273-P280-P301 + P310-P312-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
• RID/ADR: UN 2810 6.1/PG 2
• 保存温度: 2-8°C

产品相关信息

• 级别: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C11H16ClO2PS3

详细说明

Sigma Aldrich - 31461

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

Sigma Aldrich - 45300

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

Toronto Research Chemicals - C177525

Carbophenothion is an organophosphorus pesticide used for fruits and vegetables.

参考文献

• Scott, G., et al.: J. Agric. Food Chem., 50, 4400 (2002)
• Mezcua, M., et al.: Food Chem., 112, 221 (2002)
• Mezcua, M., et al.: Anal. Chem., 81, 913 (2002)