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Fipronil desulfinyl

Fipronil desulfinyl structure

CAS No:
205650-65-3
Formula:
C12H4Cl2F6N4
Chemical Name:
Fipronil desulfinyl
Synonyms:
1H-Pyrazole-3-carbonitrile,5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-;5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile;MB 46513;Fipronil desulfinyl;Desulfinylfipronil;Fipronil metabolite 46513
Categories:
Analytical Chemistry > Standard

Description

Fipronil-desulfinyl 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, and amino groups, respectively. It has a role as a marine xenobiotic metabolite. It is a member of pyrazoles, a dichlorobenzene, a member of (trifluoromethyl)benzenes and a nitrile.

Fipronil desulfinyl Basic Attributes

Molecular Weight：

389.086

Exact Mass：

389.08

UNII：

A9Y6W9QM9D

DSSTox ID：

DTXSID0043719

Characteristics

PSA：

67.63000

XLogP3：

5.25178

Density：

1.73±0.1 g/cm3(Predicted)

Melting Point：

189-190°C

Safety Information

Transport codes：

UN 2811 6.1 / PGII

wgk germany：

hazard class code：

safety instructions：

28-36/37-45

Marks：

T+

Fipronil desulfinyl Use and Manufacturing

Uses

Fipronil Desulfinyl is a photodegradation product of Fipronil (F342200).

Use Classification：

Pesticides -> Insecticides -> Pyrazole insecticides -> Phenylpyrazole insecticides -> Transformation products

Agrochemical：

Fipronil-desulfinyl is a known environmental transformation product of Fipronil.

Computed Properties

Molecular Weight:389.08
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:1
Exact Mass:387.9717205
Monoisotopic Mass:387.9717205
Topological Polar Surface Area:67.6
Heavy Atom Count:24
Complexity:506
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes