3-[(dimethoxyphosphoryl)oxy]-N-methylbut-2-enamide

• ChemBase编号: 128441
• 分子式: C7H14NO5P
• 平均质量: 223.163521
• 单一同位素质量: 223.06095918
• SMILES: O=P(O/C(=C/C(=O)NC)/C)(OC)OC
• Canonical SMILES: CNC(=O)/C=C(/OP(=O)(OC)OC)\C
• InChI: InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)
• InChIKey: KRTSDMXIXPKRQR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-[(dimethoxyphosphoryl)oxy]-N-methylbut-2-enamide; (2E)-3-[(dimethoxyphosphoryl)oxy]-N-methylbut-2-enamide
• IUPAC传统名: 3-[(dimethoxyphosphoryl)oxy]-N-methylbut-2-enamide; monocrotophos
• 别名: 久效磷 溶液; 久效磷; Monocrotophos solution; Monocrotophos; Monocrotophos; Phosphoric Acid Dimethyl (1E)-1-Methyl-3-(methylamino)-3-oxo-1-propenyl Ester; 3-Hydroxy-N-methyl-cis-crotonamide Dimethyl Phosphate; Apadrin; Azodrin; Azodrin 202R; Azodrin 60; C 1414; Corophos; Croton 36; Kadett 36; Monicil; Monocil 40; Monocos; Monocron; Monodhan; Monokrotofos; Monostar; Nuvacron; Nuvacron 36SL; Parryfos; SD 9129; Sufos

登记号

• CAS号: 6923-22-4
• EC号: 230-042-7; 200-835-2
• MDL号: MFCD00055291
• Beilstein号: 8415832
• PubChem SID: 162222748
• PubChem CID: 5371562
• CHEBI ID: 38728
• Chemspider ID: 4522053
• KEGG ID: C18663
• 维基百科标题: Monocrotophos

理论计算性质

• Acid pKa: 15.726248
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.4663406
• LogD (pH = 7.4): -0.4663361
• Log P: -0.46633604
• 摩尔折射率: 51.6446 cm^3
• 极化性: 20.145319 Å^3
• 极化表面积: 73.86 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

• 熔点: 55 °C
• 沸点: 120 °C at .0005 mmHg
• 闪点: 2 °C; 35.6 °F
• 密度: 1.33 g/cm3

安全信息

• RTECS编号: TC4375000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 环境危害性(Nature polluting) (N); 剧毒(Highly toxic) (T+); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1648; 2811
• 德国WGK号: 2; 3
• 联合国危险货物等级: 3; 6.1
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 11-20/21/22-36; 24-26/28-50/53-68
• 安全公开号: 16-36/37; 36/37-45-60-61
• GHS危险品标识: GHS02; GHS06; GHS07; GHS08; GHS09
• GHS警示词: Danger
• GHS危险声明: H225-H302-H312-H319-H332; H300 + H330-H311-H341-H410
• GHS警示性声明: P210-P280-P305 + P351 + P338; P260-P264-P273-P280-P284-P301 + P310
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1648 3/PG 2; UN 2811 6.1/PG 2
• 保存温度: 2-8°C

产品相关信息

• 浓度: 100 ng/μL in acetonitrile
• 级别: analytical standard; PESTANAL®, analytical standard
• 包装: ampule of 250 mg
• Empirical Formula (Hill Notation): C7H14NO5P

详细说明

Sigma Aldrich - 36173

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

Sigma Aldrich - 46159

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

Toronto Research Chemicals - M526050

Monocrotophos is an organophosphorous insecticide. Monocrotophos is used mainly against cotton pests but it is also used in the protection of citrus, rice, potatoes, vegetables and other crops.

参考文献

• Patel, I. et al.: Ind. J. Agric. Sci., 67, 83 (1997)
• Rao, V.L. et al.: Ind. J. Agric. Sci., 54, 209 (1997)
• Kinzer, R.E. et al.: J, Econ. Entomol., 69, 697 (1997)