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  • Fludioxonil
Name:Fludioxonil
CAS No:131341-86-1

PRODUCT DESCRIPTION

【Name】
Fludioxonil
【Iupac name】
4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
【CAS Registry number】
131341-86-1
【Synonyms】
Beret Gold
CGA 173506
Celeste
4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
【Molecular Formula】
C12H6F2N2O2 (Products with the same molecular formula)
【Molecular Weight】
248.19
【Inchi】
InChI=1/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
【InChIKey】
MUJOIMFVNIBMKC-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC(=C2C(=C1)OC(O2)(F)F)C3=CNC=C3C#N
【MOL File】
131341-86-1.mol

Chemical and Physical Properties

【Density】
1.55g/cm3
【Boiling Point】
420.4 °C at 760 mmHg
【Vapour】
2.83E-07mmHg at 25°C
【Refractive Index】
1.622
【Flash Point】
208 °C
【Storage temp】
0-6°C
【Computed Properties】
Molecular Weight:248.185046 [g/mol]
Molecular Formula:C12H6F2N2O2
XLogP3-AA:2.6
H-Bond Donor:1
H-Bond Acceptor:5
Rotatable Bond Count:1
Exact Mass:248.039734
MonoIsotopic Mass:248.039734
Topological Polar Surface Area:58
Heavy Atom Count:18
Formal Charge:0
Complexity:382
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:3
Effective Rotor Count:1.6
Conformer Sampling RMSD:0.6
CID Conformer Count:6

Safety and Handling

【Hazard Codes】
N:;
【Risk Statements】
R50/53
【Safety Statements 】
S60
【HazardClass】
9
【Safety】

Safety Information of Fludioxonil (CAS NO.131341-86-1):
Hazard Codes: NDangerous
Risk Statements: 50/53  
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 
Safety Statements: 60-61
S60:This material and its container must be disposed of as hazardous waste. 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets. 
RIDADR: 3077 
HazardClass: 9 
PackingGroup: III 

【PackingGroup 】
III
【Transport】
UN 3077
【Specification】

 Fludioxonil , its CAS NO. is 131341-86-1, the synonyms are 4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-
carbonitrile ; 1H-Pyrrole-3-carbonitrile, 4-(2,2-difluoro-1,3-benzodioxol-4-yl)- . 

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