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

• ChemBase ID: 156961
• Molecular Formular: C13H4Cl2F6N4O4
• Molecular Mass: 465.0916792
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine
• IUPAC Traditional name: fluazinam
• Synonyms: 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; 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

Database IDs

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

CALCULATED PROPERTIES

• Acid pKa: 7.1800756
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 6.924675
• LogD (pH = 7.4): 6.526208
• Log P: 6.9337115
• Molar Refractivity: 88.9072 cm^3
• Polarizability: 31.167624 Å^3
• Polar Surface Area: 116.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 2 °C; 35.6 °F

Safety Information

• RTECS: UR8085000
• European Hazard Symbols: Flammable (F); Nature polluting (N); Harmful (Xn)
• UN Number: 1648; 2811
• German water hazard class: 2; 3
• Hazard Class: 3; 6.1
• Packing Group: 2
• Risk Statements: 11-20/21/22-36; 63-20-38-41-43-50/53
• Safety Statements: 13-20/21-24/25-26-27-28-36/37/39-38-45-56-57-60-61-63; 16-36/37
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H312-H319-H332; H315-H317-H318-H332-H361-H410
• GHS Precautionary statements: P210-P280-P305 + P351 + P338; P273-P280-P305 + P351 + P338-P501
• Personal Protective Equipment: 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
• Storage Temperature: 2-8°C

Product Information

• Concentration: 100 ng/μL in acetonitrile
• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C13H4Cl2F6N4O4

DETAILS

Sigma Aldrich - 34095

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 46316

Legal Information
PESTANAL is a registered trademark of 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.

REFERENCES

• 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)