fludioxonil (CAS 131341-86-1) — formula C12H6F2N2O2, molecular weight 248.18.
| CAS Number | 131341-86-1 |
|---|---|
| Molecular Formula | C12H6F2N2O2 |
| Molecular Weight | 248.18 |
| Melting Point | 199.8 °C |
| LogP | log Kow = 4.12 at 25 °C |
fludioxonil is a chemical compound with CAS registry number 131341-86-1 and molecular formula C12H6F2N2O2 (molecular weight 248.18).
CAS number: 131341-86-1
Its molecular formula C12H6F2N2O2 comprises 12 C, 6 H, 2 F, 2 N, 2 O atoms.
Also known as: fludioxonil · 咯菌腈
The CAS registry number of fludioxonil is 131341-86-1.
Molecular formula C12H6F2N2O2, molecular weight 248.18.
It is also registered under: fludioxonil, 咯菌腈.
Independent reference data for fludioxonil (CAS 131341-86-1), compiled from public chemistry databases.
| 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 |
| 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 |
| 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]- |
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
| Reported hazard statements | H400, H410, H320, H351 |
|---|
H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 咯菌腈