氟啶胺

Description

2-Pyridinamine,3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)- · CAS 79622-59-6 · C13H4Cl2F6N4O4. UNII 0P91PCK33Q. Odor: Pungent at 23 °C; Melting Point: 115-117 °C; Solubility: In water, 1.35X10-1 mg/L at 20 °C.

Identification

CAS Registry Number	79622-59-6
PubChem CID	91731
Molecular formula	C13H4Cl2F6N4O4
IUPAC name	3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine
UNII (FDA)	0P91PCK33Q

Computed Descriptors

Molecular Weight	465.09
XLogP3	6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	2
Exact Mass	463.9513790
Monoisotopic Mass	463.9513790
Topological Polar Surface Area	117
Heavy Atom Count	29
Formal Charge	0

Physical & Chemical Properties

Odor	Pungent at 23 °C
Melting Point	115-117 °C
Solubility	In water, 1.35X10-1 mg/L at 20 °C
Density	1.259 g/mL at 25 °C
Vapor Pressure	0.000056 [mmHg]
Vapor Pressure	5.6X10-5 mm Hg at 25 °C
LogP	log Kow = 4.1
LogP	3.27
Dissociation Constants	pKa = 7.34 at 20 °C
Collision Cross Section	185.96 Ų [M+H]+

Physical description & handling notes

• Light yellow solid; [HSDB] Omega 500F: Yellow liquid with a pungent odor (40% active ingredient); [Reference #2]
• Light yellow crystals
• Solubility in n-hexane 12, acetone 470, toluene 410, diethyl ether 320, dichloromethane 330, ethanol 150 (all in g/L, 20 °C)
• Solubility in methanol 162 g/L, dichloroethane 485 g/L, ethyl acetate 624 g/L
• Henry's Law constant = 2.5X10-4 atm-cu m/mol at 25 °C /Estimated/
• Stable to acid, alkali and heat.

Regulatory Status

GHS notification summary	1.4% (3 / 217)

GHS Hazard Classification

GHS notification summary	1.4% (3 / 217)
Reported hazard statements	H317, H318, H332, H400, H410, H315 (32.3%), H361 (84.8%), H373 (13.4%)

Documented Uses

• Used as agricultural fungicide; [Merck Index] Omega 500F: Used in the US as a fungicide for peanuts and potatoes; [Reference #2]
• Fungicide; Broad spectrum disease control on Alternaria, Botrytis, Phytophthora/Plasmopara, Sclerotinia,Venturia, and other pathogens. Acaricide on citrus red mites and two spotted spider mites.
• Control of grey mould and downy mildew on vines; apple scab; southern blight and white mould on peanuts; and Phytophthora infestans and tuber blight on potatoes. Control of clubroot on crucifers, and rhizomania on sugar beet. Applied at 150-750 g/ha.
• Allegro 500F fungicide, containing 500 g/L of fluazinam, is a contact fungicide. It is recommended for use as a preventative fungicide for control of late blight on potatoes at the rate of 200 g a.i./ha at 7-10 day intervals. A maximum of 10 applications can be applied per growing season. A maximum of three sequential applications of Allegro 500F is recommended before alternating to a fungicide with a different mode of action. /Allegro 500F/
• Preparation: R. Nishiyama et al., EP 31257; eidem, US 4331670 (1981, 1982 both to Ishihara Sangyo Kaisha).
• Metabolites AMPA /(4-chloro-N2-[3-chloro-5- (trifluoromethyl)-2-pyridyl]-3-nitro-5-(trifluoromethyl)-1,2-benzenediamine)/, DAPA /(3-chloro-2-(2,6-diamino-3-chloro-alpha,alpha,alpha- trifluoromethyl) pyridine)/, and some related conjugates and hydrolysis products were isolated, identified and characterized from urine, feces and bile of radiolabelled fluazinam-treated rats. Fluazinam was almost completely metabolized by hydroxylation, followed by conjugation. A quantitative sex difference was not observed.

Synonyms

Fluazinam; 79622-59-6; Frowncide; Shirlan Flow; 3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine; Shirlan (Zeneca); DTXSID7032551; IKF 1216; ASC 66825; ASC 67178; PP 192; 0P91PCK33Q; IKF-1216; DTXCID5012551; CHEBI:81843; ICI-A-192

Frequently Asked Questions

What are the CAS number and molecular formula of 2-Pyridinamine,3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-?

CAS 79622-59-6; molecular formula C13H4Cl2F6N4O4; molecular weight — g/mol.

What other names is 2-Pyridinamine,3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)- known by?

Fluazinam, 79622-59-6, Frowncide, Shirlan Flow, 3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine, Shirlan (Zeneca).

Is 2-Pyridinamine,3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)- classified as hazardous?

1.4% of GHS notifications report no hazard classification (3 of 217).

What are the key physical properties of 2-Pyridinamine,3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-?

Odor: Pungent at 23 °C; Melting Point: 115-117 °C; Solubility: In water, 1.35X10-1 mg/L at 20 °C; Density: 1.259 g/mL at 25 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.