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120068-36-2

120068-36-2 structural image
Product Name: FIPRONIL-SULFONE
Formula: C12H4Cl2F6N4O2S
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Environment
GHS09
GHS Hazard Statements H301:Acute toxicity,oral
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P273:Avoid release to the environment.
P391:Collect spillage. Hazardous to the aquatic environment
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 453.1 g/mol
XLogP3 4.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 2
Exact Mass 451.9336209 g/mol
Monoisotopic Mass 451.9336209 g/mol
Topological Polar Surface Area 110 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 706
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
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Fipronil-sulfone is a member of the class of pyrazoles that is 1H-pyrazole that is substituted at positions 1, 3, 4, and 5 by 2,6-dichloro-4-(trifluoromethyl)phenyl, cyano, (trifluoromethyl)sulfonyl, and amino groups, respectively. It is a metabolite of the agrochemical fipronil. It has a role as a marine xenobiotic metabolite. It is a member of pyrazoles, a dichlorobenzene, a nitrile, a member of (trifluoromethyl)benzenes and a sulfone.