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: N
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)- .