dimethyl {[(methylcarbamoyl)methyl]sulfanyl}phosphonate

• ChemBase编号: 128723
• 分子式: C5H12NO4PS
• 平均质量: 213.191841
• 单一同位素质量: 213.0224655
• SMILES: O=C(NC)CSP(=O)(OC)OC
• Canonical SMILES: CNC(=O)CSP(=O)(OC)OC
• InChI: InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)
• InChIKey: PZXOQEXFMJCDPG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dimethyl {[(methylcarbamoyl)methyl]sulfanyl}phosphonate
• IUPAC传统名: omethoate
• 别名: 氧乐果; Phosphorothioic Acid O,O-dimethyl S-[2-(methylamino)-2-oxoethyl]ester; Dimethoate O-Analog; Dimethoate Oxon; Folimat; PO-Dimethoate; Spraymate L 1700; BAY 45432; Bayer 45432; Dimethoxon; O,O-Dimethyl S-methylcarbamoylmethyl phosphorothioate; Omethoate; Omethoate

登记号

• CAS号: 1113-02-6
• EC号: 214-197-8
• MDL号: MFCD00055441
• Beilstein号: 1785256
• PubChem SID: 162223029
• PubChem CID: 14210
• CHEBI ID: 38730
• Chemspider ID: 13574
• KEGG ID: C18662
• 维基百科标题: Omethoate

理论计算性质

• Acid pKa: 15.455829
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.5482093
• LogD (pH = 7.4): -0.5482093
• Log P: -0.5482093
• 摩尔折射率: 47.3456 cm^3
• 极化性: 19.12775 Å^3
• 极化表面积: 64.63 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

• 闪点: 100 °C; 212 °F

安全信息

• RTECS编号: TF8050000
• 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: 21-25-50
• 安全公开号: 23-36/37-45-61
• GHS危险品标识: GHS06; GHS09
• GHS警示词: Danger
• GHS危险声明: H300-H311-H400
• GHS警示性声明: P264-P273-P280-P301 + P310-P312
• 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: analytical standard; PESTANAL®, analytical standard
• 包装: ampule of 100 mg
• Empirical Formula (Hill Notation): C5H12NO4PS

详细说明

Sigma Aldrich - 36181

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

Toronto Research Chemicals - O635500

Insecticidal, acaricidal, and fungicidal combinations of carboxamides and other pesticides.

参考文献

• Dugo, G., et al.: Food Chem., 16, 435 (2005)
• Caldas, E., et al.: Toxicology, 222, 132 (2005)
• Cabras, P., et al.: J. Agric. Food Chem., 45, 2244 (2005)
• Wilkinson, C., et al.: Regul. Toxicol. Pharmacol., 31, 30 (2005)