2-tert-butylpyrimidin-5-yl propan-2-yl ethoxy(sulfanylidene)phosphonite

• ChemBase编号: 157092
• 分子式: C13H23N2O3PS
• 平均质量: 318.372081
• 单一同位素质量: 318.11670024
• SMILES: CCOP(=S)(Oc1cnc(nc1)C(C)(C)C)OC(C)C
• Canonical SMILES: CCOP(=S)(Oc1cnc(nc1)C(C)(C)C)OC(C)C
• InChI: InChI=1S/C13H23N2O3PS/c1-7-16-19(20,17-10(2)3)18-11-8-14-12(15-9-11)13(4,5)6/h8-10H,7H2,1-6H3
• InChIKey: AWYOMXWDGWUJHS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-tert-butylpyrimidin-5-yl propan-2-yl ethoxy(sulfanylidene)phosphonite; 2-tert-butylpyrimidin-5-yl ethyl (propan-2-yloxy)(sulfanylidene)phosphonite
• IUPAC传统名: phostebupirim; 2-tert-butylpyrimidin-5-yl ethyl isopropoxy(sulfanylidene)phosphonite
• 别名: 丁基嘧啶磷; Tebupirimfos; Phosphorothioic Acid O-[2-(1,1-Dimethylethyl)-5-pyrimidinyl] O-Ethyl O-(1-Methylethyl) Ester; BAY-MAT 7484; MAT 7484; Phostebupirim; Tebupirimphos; Tebupirimfos

登记号

• CAS号: 96182-53-5
• MDL号: MFCD01742641
• PubChem SID: 24869738; 162251229
• PubChem CID: 93516

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.365362
• LogD (pH = 7.4): 4.365367
• Log P: 4.365367
• 摩尔折射率: 84.7744 cm^3
• 极化性: 33.79107 Å^3
• 极化表面积: 53.47 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: TF8750000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 剧毒(Highly 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): 1
• 危险公开号: 26/27/28-50/53
• 安全公开号: 28-36/37-45-60-61
• GHS危险品标识: GHS06; GHS09
• GHS警示词: Danger
• GHS危险声明: H300-H310-H330-H400
• GHS警示性声明: P260-P264-P273-P280-P284-P302 + P350
• 个人保护装置: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 2810 6.1/PG 1
• 保存温度: 2-8°C

产品相关信息

• 级别: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C13H23N2O3PS

详细说明

Sigma Aldrich - 31599

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

Toronto Research Chemicals - T013600

Tebupirimfos is an organophosphorous insecticide developped for soil application.

参考文献

• Hartwig, J.M.F. et al.: Bright. Crop. Prot. Conf. Pest Dis., 1, 35 (1992)
• Kuhar, T. et al.: Pest. Outlook, 14, 265 (1992)