咯菌腈

Description

fludioxonil · CAS 131341-86-1 · C12H6F2N2O2. UNII ENS9J0YM16. Melting Point: 199.8 °C; Solubility: In water, 1.8 mg/L at 25 °C; Density: 1.54 at 20 °C.

Identification

CAS Registry Number	131341-86-1
PubChem CID	86398
Molecular formula	C12H6F2N2O2
IUPAC name	4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
UNII (FDA)	ENS9J0YM16

Computed Descriptors

Molecular Weight	248.18
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	248.03973376
Monoisotopic Mass	248.03973376
Topological Polar Surface Area	58
Heavy Atom Count	18
Formal Charge	0

Physical & Chemical Properties

Melting Point	199.8 °C
Solubility	In water, 1.8 mg/L at 25 °C
Density	1.54 at 20 °C
Vapor Pressure	2.93X10-9 mm Hg at 25 °C
LogP	log Kow = 4.12 at 25 °C
LogP	2.6
Collision Cross Section	146.13 Ų [M-H]-
Collision Cross Section	158.88 Ų [M+Na]+
Collision Cross Section	164.6 Ų [M+Na]+
Collision Cross Section	147.8 Ų [M-H]-

Physical description & handling notes

• Pale to colorless solid; [ACGIH]
• Colorless crystals
• Yellow-ish crystals
• Odorless
• Solubility in: acetone 190; ethanol 44; toluene 2.7; n-octanol 20; hexane 0.1 (g/L at 25 °C)
• Henry's Law constant = 5.3X10-10 atm-cu m/mol at 25 °C

GHS Hazard Classification

Reported hazard statements	H400, H410, H320, H351

Documented Uses

• Used as an agricultural fungicide (seed treatment); [ACGIH]
• Fungicide, insecticide, seed treatment/protectant
• Preparation: R. Nyfeler, Jl ehrenfreund, European Patent Office 206999; eidem, United States of America patent 4705800 (1986, 1987 both to Ciba-Geigy).
• Fludioxonil (announced in 1991) is used as seed treatment for control of Gibberella in rice and to control Fusarium, Rhizoctonia, Tilletia, Helminthosporium, and Septoria in cereal and noncereal crops.
• A feeding study was conducted in which three groups of three dairy cows received 0.55 ppm, 1.6 ppm or 5.5 ppm fludioxonil in the diet for 28-30 days. Residues of fludioxonil and metabolites, determined as CGA-192155 (2,2-difluorobenzo[1,1]dioxole-4-carboxylic acid), were quantifiable only at the highest feeding level (5.5 ppm)... No quantifiable residue was found in the tissues of ruminants at levels 60 times (cows) and 80 times (beef cattle) the calculated dietary burden. Fludioxonil and metabolites were detected
• The dermal absorption of fludioxonil, excluding material bound to the skin, is low in rats in vivo (< 5%) and in human skin in vitro (< 0.5%). In a study of dermal penetration in rats in vitro, values for dermal absorption at low levels of application were comparable to those obtained in a study performed in vivo (< 2%), but at higher levels significantly overestimated absorption in vivo (38%).

Synonyms

Fludioxonil; 131341-86-1; 4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile; Scholar; 1H-Pyrrole-3-carbonitrile, 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-; Celest; DTXSID2032398; ENS9J0YM16; 4-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile; MEDALLION; CGA-173506; DTXCID0012398; CHEBI:81763; 3-(2,2-DIFLUOROBENZODIOXOL-4-YL)-4-CYANOPYRROLE; RefChem:140816; fludioxonil (ISO); 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile

Frequently Asked Questions

What are the CAS number and molecular formula of fludioxonil?

CAS 131341-86-1; molecular formula C12H6F2N2O2; molecular weight — g/mol.

What other names is fludioxonil known by?

Fludioxonil, 131341-86-1, 4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile, Scholar, 1H-Pyrrole-3-carbonitrile, 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-, Celest.

Is fludioxonil classified as hazardous?

Hazard statements reported: H400, H410, H320, H351.

What are the key physical properties of fludioxonil?

Melting Point: 199.8 °C; Solubility: In water, 1.8 mg/L at 25 °C; Density: 1.54 at 20 °C; Vapor Pressure: 2.93X10-9 mm Hg 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.