Fludioxonil - CAS 131341-86-1
Catalog: |
BB007297 |
Product Name: |
Fludioxonil |
CAS: |
131341-86-1 |
Synonyms: |
1H-Pyrrole-3-carbonitrile, 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-; Beret Gold; Celeste; CGA 173506; Fludioxonil; Geoxe; Maxim; Maxim (pesticide); Maxim 4FS; Maxim PSP; Maxin XL; Saphire; Savior; Scholar; Seibia; Spirato; Spirato 480 FS |
Related CAS: | 1135442-63-5 (Deleted CAS)
|
IUPAC Name: | 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile |
Description: | Fludioxonil is a phenylpyrrole fungicide used to control a range of diseases, including Fusarium, Rhizoctonia, and Alternaria. It also inhibits glucose transport-related phosphorylation and reduces mycelial growth. |
Molecular Weight: | 248.19 |
Molecular Formula: | C12H6F2N2O2 |
Canonical SMILES: | C1=CC(=C2C(=C1)OC(O2)(F)F)C3=CNC=C3C#N |
InChI: | InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H |
InChI Key: | MUJOIMFVNIBMKC-UHFFFAOYSA-N |
Boiling Point: | 420.4±45.0°C at 760 mmHg |
Melting Point: | 196-199°C |
Purity: | 95% |
Density: | 1.55±0.1 g/cm3 |
Solubility: | Soluble in DMSO (Slightly), Methanol (Slightly) |
Appearance: | Light Brown Solid |
Storage: | Store at 2-8°C |
MDL: | MFCD01631158 |
LogP: | 2.87488 |
Vapor Pressure: | 2.93X10-9 mm Hg at 25 °C |
GHS Hazard Statement: | H400 (98.54%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] |
Precautionary Statement: | P273, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113491270-A | Application of diethyl maleate as bactericidal synergist in plant disease control | 20210723 |
CN-113433247-A | Method for measuring pesticide residue | 20210715 |
CN-113348924-A | Method for preventing and treating maize bacterial wilt | 20210709 |
CN-113475329-A | Late wheat planting method | 20210706 |
CN-113287477-A | Potato planting method | 20210705 |
PMID | Publication Date | Title | Journal |
33049310 | 20210401 | Evaluation of a multiplexed, multispecies nuclear receptor assay for chemical hazard assessment | Toxicology in vitro : an international journal published in association with BIBRA |
33575850 | 20210401 | More than additive effects on liver triglyceride accumulation by combinations of steatotic and non-steatotic pesticides in HepaRG cells | Archives of toxicology |
32278787 | 20200601 | Structure-based Identification of Endocrine Disrupting Pesticides Targeting Breast Cancer Proteins | Toxicology |
31927052 | 20200401 | Tributyltin and triphenyltin induce 11β-hydroxysteroid dehydrogenase 2 expression and activity through activation of retinoid X receptor α | Toxicology letters |
32194361 | 20200101 | RNA-protein correlation of liver toxicity markers in HepaRG cells | EXCLI journal |
Complexity: | 382 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.03973376 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.03973376 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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Pyrroles
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