2-[7-fluoro-3-oxo-4-(prop-2-yn-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-2,3,4,5,6,7-hexahydro-1H-isoindole-1,3-dione

• ChemBase编号: 157490
• 分子式: C19H15FN2O4
• 平均质量: 354.3318032
• 单一同位素质量: 354.10158519
• SMILES: C#CCN1c2cc(c(cc2OCC1=O)F)N1C(=O)C2=C(C1=O)CCCC2
• Canonical SMILES: C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2
• InChI: InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2
• InChIKey: FOUWCSDKDDHKQP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[7-fluoro-3-oxo-4-(prop-2-yn-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-2,3,4,5,6,7-hexahydro-1H-isoindole-1,3-dione
• IUPAC传统名: flumioxazin
• 别名: 2-[7-氟代-3,4-二氢-3-氧代-4-(2-丙炔基)-2H-1,4-苯并噁嗪-6-基]-4,5,6,7-四氢-1H-异吲哚-1,3(2H)-二酮; 氟氯苯菊酯; 丙炔氟草胺; 2-[7-Fluoro-3,4-dihydro-3-oxo-4-(2-propyn-1-yl)-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione; Flumizin; Guillotine; Pledge; Flumioxazin; 2-[7-Fluoro-3,4-dihydro-3-oxo-4-(2-propynyl)-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione; Flumioxazine; Flumioxazin

登记号

• CAS号: 103361-09-7
• MDL号: MFCD01754256
• PubChem SID: 162251627
• PubChem CID: 92425

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.4784484
• LogD (pH = 7.4): 1.4784629
• Log P: 1.4784632
• 摩尔折射率: 89.8193 cm^3
• 极化性: 33.6587 Å^3
• 极化表面积: 66.92 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

安全信息

• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有毒(Toxic) (T)
• 德国WGK号: 3
• 危险公开号: 61-50/53
• 安全公开号: 53-45-60-61
• GHS危险品标识: GHS08; GHS09
• GHS警示词: Danger
• GHS危险声明: H360D-H410
• GHS警示性声明: P201-P273-P308 + P313-P501
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

产品相关信息

• 级别: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C19H15FN2O4

详细说明

Sigma Aldrich - 32525

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

Toronto Research Chemicals - F500470

Herbicide.

参考文献

• Walker, L., et al.: J. Environ. Horticulture, 28, 8 (2010)
• Meyers, S., et al.: Weed Technol., 24, 495 (2010)