2,2-dimethyl-2H-1,3-benzodioxol-4-yl N-methylcarbamate

• ChemBase编号: 126059
• 分子式: C11H13NO4
• 平均质量: 223.22522
• 单一同位素质量: 223.0844579
• SMILES: O=C(Oc1cccc2OC(Oc12)(C)C)NC
• Canonical SMILES: CNC(=O)Oc1cccc2c1OC(O2)(C)C
• InChI: InChI=1S/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13)
• InChIKey: XEGGRYVFLWGFHI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2-dimethyl-2H-1,3-benzodioxol-4-yl N-methylcarbamate
• IUPAC传统名: bendiocarb
• 别名: 恶虫威; Methylcarbamic Acid 2,3-(Isopropylidenedioxy)phenyl Ester; 2,3-(Isopropylidenedioxy)phenol Methylcarbamate; 2,2-Dimethyl-1,3-benzodioxol-4-yl N-methylcarbamate; Bencarbate; Bendiocarb; Dycarb; Ficam; Ficam 80W; Ficam W; Fisons NC 6897; Garvox; Multamat; NC 6897; Niomil; Seedox; Seedox 80W; Turcam; Bendiocarb; Bendiocarb

登记号

• CAS号: 22781-23-3; 22781-23-3
• EC号: 245-216-8
• MDL号: MFCD00078629
• Beilstein号: 1315404
• PubChem SID: 24899287; 24868794; 162220400
• PubChem CID: 2314
• CHEBI ID: 34556
• ATC码: QP53AE03
• CHEMBL: 465018
• Chemspider ID: 2224
• KEGG ID: C14433
• 美国药典/FDA物质标识码: QFH0ZU0A5U
• 维基百科标题: Bendiocarb

理论计算性质

• Acid pKa: 14.763549
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.5714664
• LogD (pH = 7.4): 1.5714663
• Log P: 1.5714664
• 摩尔折射率: 56.3948 cm^3
• 极化性: 22.091738 Å^3
• 极化表面积: 56.79 Å^2
• 可自由旋转的化学键: 2
• 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: FC1140000
• 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: 21-23/25-50/53
• 安全公开号: 22-36/37-45-60-61
• GHS危险品标识: GHS06; GHS09
• GHS警示词: Danger
• GHS危险声明: H301-H312-H331-H410
• GHS警示性声明: P261-P273-P280-P301 + P310-P311-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 250 mg
• Empirical Formula (Hill Notation): C11H13NO4

详细说明

Sigma Aldrich - 45336

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

Toronto Research Chemicals - B119900

Bendiocarb is a benzodioxolyl carbamate derivative. Bendiocarb is commonly used as an insecticide in agriculture against a wide range of pests and insects. Bendiocarb is one of the insecticides recommended by world health organization (WHO) for use in mal

参考文献

• Sadasivaiah, S. et al.: Am. J. Trop. Med. Hyg., 77, 249 (2007)
• Brooker, P. J. et al.: Pest. Sci., 3, 735 (2007)