4-bromo-2-chlorophenyl ethyl (propylsulfanyl)phosphonate

• ChemBase编号: 157768
• 分子式: C11H15BrClO3PS
• 平均质量: 373.630761
• 单一同位素质量: 371.93514165
• SMILES: CCCSP(=O)(OCC)Oc1ccc(cc1Cl)Br
• Canonical SMILES: CCCSP(=O)(Oc1ccc(cc1Cl)Br)OCC
• InChI: InChI=1S/C11H15BrClO3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3
• InChIKey: QYMMJNLHFKGANY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-bromo-2-chlorophenyl ethyl (propylsulfanyl)phosphonate
• IUPAC传统名: profenofos
• 别名: 丙溴磷; Profenofos; Phosphorothioic Acid O-(4-Bromo-2-chlorophenyl) O-Ethyl S-Propyl Ester; CGA 15324; Calofos; Carina; Curacron; Ictacron; O-(4-Bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothioate; Prowess; Selecron; Tambo; Polycron; Profenophos; O-Ethyl-S-n-propyl-O-(2-chloro-4-bromophenyl)thiophosphate; Profenofos

登记号

• CAS号: 41198-08-7
• EC号: 255-255-2
• MDL号: MFCD00078736
• Beilstein号: 2150258
• PubChem SID: 24899083; 24869158; 162251905
• PubChem CID: 38779

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.8756166
• LogD (pH = 7.4): 4.8756166
• Log P: 4.8756166
• 摩尔折射率: 80.8241 cm^3
• 极化性: 32.149982 Å^3
• 极化表面积: 35.53 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

安全信息

• RTECS编号: TE6975000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2810; 2811
• 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: 20/21/22-50/53
• 安全公开号: 36/37-60-61
• GHS危险品标识: GHS07; GHS09
• GHS警示词: Warning
• GHS危险声明: H302-H312-H332-H410
• GHS警示性声明: P273-P280-P501
• 个人保护装置: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2810 6.1/PG 2; UN 2811 6.1/PG 2
• 保存温度: 2-8°C

产品相关信息

• 级别: analytical standard; PESTANAL®, analytical standard
• 包装: ampule of 250 mg
• Empirical Formula (Hill Notation): C11H15BrClO3PS

详细说明

Sigma Aldrich - 45632

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

Toronto Research Chemicals - P755880

A broad-spectrum organophosphorous pesticide that is used widely in cotton fields for insect control.

参考文献

• Boholzer, F.: Proc. Br. Insect. Fung. Conf., 2, 659 (1975)
• Martin, T. et al.: J. Econ. Entamol., 96, 468 (1975)