3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine

• ChemBase编号: 156961
• 分子式: C13H4Cl2F6N4O4
• 平均质量: 465.0916792
• 单一同位素质量: 463.95137931
• SMILES: c1c(cnc(c1Cl)Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F
• Canonical SMILES: Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F
• InChI: InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)
• InChIKey: UZCGKGPEKUCDTF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine
• IUPAC传统名: fluazinam
• 别名: 3-氯-N-(3-氯-2,6-二硝基-4-三氟甲基苯基)-5-三氟甲基-2-吡啶胺; 3-氯-N-(3-氯-5-三氟甲基-2-吡啶基)-α,α,α-三氟-2,6-二硝基-对甲苯胺; 氟啶胺; 氟啶胺 溶液; 3-Chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2-pyridinamine; ASC 66825; ASC 67178; Altima; Fluazinam; Frowncide; Frowncide SC; N-(3-Chloro-5-trifluoromethyl-2-pyridyl)-2,6-dinitro-3-chloro-4-trifluoromethylaniline; IKF 1216; Mapro; Omega; PP 192; Sekoya; Shirlan Flow; Fluazinam; 3-Chloro-N-(3-chloro-2,6-dinitro-4-trifluoromethylphenyl)-5-trifluoromethyl-2-pyridylamine; 3-Chloro-N-(3-chloro-5-trifluoromethyl-2-pyridyl)-α,α,α-trifluoro-2,6-dinitro-p-toluidine; Fluazinam; Fluazinam solution

登记号

• CAS号: 79622-59-6
• EC号: 200-835-2
• MDL号: MFCD00214168
• Beilstein号: 4772672
• PubChem SID: 162251098; 24869901; 24860880
• PubChem CID: 91731

理论计算性质

• Acid pKa: 7.1800756
• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): 6.924675
• LogD (pH = 7.4): 6.526208
• Log P: 6.9337115
• 摩尔折射率: 88.9072 cm^3
• 极化性: 31.167624 Å^3
• 极化表面积: 116.56 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 闪点: 2 °C; 35.6 °F

安全信息

• RTECS编号: UR8085000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 环境危害性(Nature polluting) (N); 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; 63-20-38-41-43-50/53
• 安全公开号: 13-20/21-24/25-26-27-28-36/37/39-38-45-56-57-60-61-63; 16-36/37
• GHS危险品标识: GHS02; GHS05; GHS07; GHS08; GHS09
• GHS警示词: Danger
• GHS危险声明: H225-H302-H312-H319-H332; H315-H317-H318-H332-H361-H410
• GHS警示性声明: P210-P280-P305 + P351 + P338; P273-P280-P305 + P351 + P338-P501
• 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: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C13H4Cl2F6N4O4

详细说明

Sigma Aldrich - 34095

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

Sigma Aldrich - 46316

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

Toronto Research Chemicals - F407450

Fluazinam is a broad spectrum fungicide. Fluazinam is commonly used for control of Sclerotinia blight and other soilborne pathogens of peanut as well for the control of potato blight.

参考文献

• Smith, F.D. et al.: Peanut Sci., 19, 115 (1992)
• Roques, J.-F. et al.: Phytoma, 460, 48 (1992)
• Platt, H.W. et al.: Tests Agrochem. Cult., 15, 36 (1992)