2-(propan-2-yloxy)phenyl N-methylcarbamate

• ChemBase编号: 129132
• 分子式: C11H15NO3
• 平均质量: 209.2417
• 单一同位素质量: 209.10519335
• SMILES: CC(C)Oc1ccccc1OC(=O)NC
• Canonical SMILES: CNC(=O)Oc1ccccc1OC(C)C
• InChI: InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)
• InChIKey: ISRUGXGCCGIOQO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(propan-2-yloxy)phenyl N-methylcarbamate
• IUPAC传统名: rhoden
• 别名: 残杀威; 残杀威; 残虫畏®; Propoxur; 2-(1-Methylethoxy)phenol 1-(N-Methylcarbamate); 2-(1-Methylethoxy)phenyl N-Methylcarbamate; 2-Isopropoxyphenyl N-Methylcarbamate; Arprocarb; Bayer 39007; Bayer B 5122; Baygon G; Blattanex; Blattosep; Bolfo; Boruho; Boruho 50; Brygou; Dalf Dust; ENT 25,671; IPMC; Invisi-Gard; Mrowkozol; NSC 379584; O-(2-Isopropoxyphenyl) N-methylcarbamate; OMS 33; PHC 7; Propotox; Propoxylor; Sendran; Suncide; Tendex; Unden; Propoxur; Propoxur; Baygon®

登记号

• CAS号: 114-26-1
• EC号: 204-043-8
• MDL号: MFCD00055455
• Beilstein号: 1879891
• PubChem SID: 24869180; 162223431; 24899241
• PubChem CID: 4944
• ATC码: QP53AE02
• CHEMBL: 446060
• KEGG ID: C14334
• 美国药典/FDA物质标识码: BFH029TL73
• 维基百科标题: Propoxur

理论计算性质

• Acid pKa: 14.764101
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 2.086349
• LogD (pH = 7.4): 2.086349
• Log P: 2.086349
• 摩尔折射率: 56.3944 cm^3
• 极化性: 22.101303 Å^3
• 极化表面积: 47.56 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Methanol
• 外观: White Solid
• 熔点: 84-86°C

安全信息

• 保存条件: Refrigerator
• RTECS编号: FC3150000
• 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: 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: 25-50/53
• 安全公开号: 37-45-60-61
• GHS危险品标识: GHS06; GHS09
• GHS警示词: Danger
• GHS危险声明: H301-H410
• GHS警示性声明: P273-P301 + P310-P501
• 个人保护装置: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 2

产品相关信息

• 级别: analytical standard; PESTANAL®, analytical standard
• 包装: ampule of 1000 mg
• Empirical Formula (Hill Notation): C11H15NO3

详细说明

Sigma Aldrich - 45644

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

Sigma Aldrich - PS551

法律信息
Baygon 注册商标 S. C. Johnson & Son, Inc.

Toronto Research Chemicals - P830800

Propoxur is a non-systematic carbamate insecticide. Propoxur is used against a wide range of insects such as fleas, mosquitoes, ants, gypsy moths, and other agricultural pests. Propoxur functions by reversibly inactivating the enzyme acetylcholinesterase

参考文献

• Voss, G.: Anzeig. Schaedling., 40, 73 (1967)
• Fraser, J. et al.: J. Sci. Food. Agric., 8 (1967)
• Corbel, V. et al.: Neurotoxicology, 27, 508 (1967)