ethyl 2-{5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyloxy}propanoate

• ChemBase编号: 157116
• 分子式: C19H15ClF3NO7
• 平均质量: 461.7731096
• 单一同位素质量: 461.04891417
• SMILES: CCOC(=O)C(C)OC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F
• Canonical SMILES: CCOC(=O)C(OC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F)C
• InChI: InChI=1S/C19H15ClF3NO7/c1-3-29-17(25)10(2)30-18(26)13-9-12(5-6-15(13)24(27)28)31-16-7-4-11(8-14(16)20)19(21,22)23/h4-10H,3H2,1-2H3
• InChIKey: CONWAEURSVPLRM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 2-{5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyloxy}propanoate
• IUPAC传统名: lactofen
• 别名: 2-乙氧基-1-甲基-2-氧乙基 5-(2-氯-4-三氟甲基苯氧基)-2-硝基苯甲酸酯; O-[5-(2-氯-α,α,α-三氟-对甲苯氧基)-2-硝基苯甲酰]-DL-乳酸乙酯; 乳氟禾草灵; 2-Ethoxy-1-methyl-2-oxoethyl 5-(2-chloro-4-trifluoromethylphenoxy)-2-nitrobenzoate; Ethyl O-[5-(2-chloro-α,α,α-trifluoro-p-tolyloxy)-2-nitrobenzoyl]-DL-lactate; Lactofen; Cobra; PPG 844; Phoenix; 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic Acid 2-Ethoxy-1-methyl-2-oxoethyl ester; Lactofen (>85%)

登记号

• CAS号: 77501-63-4
• MDL号: MFCD01632761
• PubChem SID: 162251253
• PubChem CID: 62276

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.448337
• LogD (pH = 7.4): 5.448337
• Log P: 5.448337
• 摩尔折射率: 102.5235 cm^3
• 极化性: 38.444706 Å^3
• 极化表面积: 107.65 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Chloroform; Ethyl Acetate
• 外观: Low Melting Yellow Solid

安全信息

• 保存条件: Refrigerator
• RTECS编号: DG5643120
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有害性(Harmful) (Xn)
• 德国WGK号: 2
• 危险公开号: 21-51/53
• 安全公开号: 36/37-61
• GHS危险品标识: GHS07; GHS09
• GHS警示词: Warning
• GHS危险声明: H312-H411
• GHS警示性声明: P273-P280
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 级别: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C19H15ClF3NO7

详细说明

Sigma Aldrich - 32972

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

Toronto Research Chemicals - L113750

Lactofen is a complex ester derivative of Acifluoren, a diphenyl ether herbicide. Lactofen can be used in postemergence applications and is commonly used as foliar spray. Lactofen is used in agriculture to control broadleaved weeds in soybean, cereals, po

参考文献

• Kurtz, M.E.: Indust. Crop. Prod., 5, 119 (1996)
• Novo, M.C.S.S. et al.: Sci. Agric., 55, 276 (1996)
• Dann, E.K. et al.: Phytopathology, 89, 598 (1996)