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Fipronil sulfide

Fipronil sulfide structure

CAS No:
120067-83-6
Formula:
C12H4Cl2F6N4S
Chemical Name:
Fipronil sulfide
Synonyms:
1H-Pyrazole-3-carbonitrile,5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)thio]-;5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)thio]-1H-pyrazole-3-carbonitrile;MB 45950;5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-trifluoromethylthiopyrazole;Fipronil sulfide;5-Amino-1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylthio)pyrazole-3-carbonitrile;5-Amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-(trifluoromethylthio)pyrazole;1-(2,6-Dichloro-4-trifluoromethylphenyl)-3-cyano-5-amino-4-(trifluoromethylthio)pyrazole;MBO 45950
Categories:
Agrochemicals > Insecticides

Description

ChEBI: 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)sulfanyl, and amino groups, respectively. It is a metabolite of the agrochemical fipronil.

Fipronil-sulfide 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)sulfanyl, 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 member of (trifluoromethyl)benzenes, an organic sulfide and a nitrile.

Fipronil sulfide Basic Attributes

Molecular Weight：

421.152

Exact Mass：

421.15

EC Number：

601-662-9

Characteristics

PSA：

92.9

XLogP3：

6.40

Density：

1.76±0.1 g/cm3(Predicted)

Melting Point：

161-163 °C @ Solvent: Toluene

Boiling Point：

393.2±42.0 °C(Predicted)

Flash Point：

191.6±27.9 °C

Refractive Index：

1.592

Vapor Pressure：

0mmHg at 25°C

Safety Information

Precautionary statement(s)：

P260, P264, P270, P271, P273, P280, P284, P301+P310, P302+P352, P304+P340, P310, P312, P314, P320, P321, P322, P330, P361, P363, P391, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P264, P270, P271, P273, P280, P284, P301+P310, P302+P352, P304+P340, P310, P312, P314, P320, P321, P322, P330, P361, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Fipronil sulfide Use and Manufacturing

Uses

Fipronil Sulfide is a degradation product of the insecticide Fipronil (F342200).

Use Classification：

Transformation products|Pesticides -> Insecticides -> Pyrazole insecticides -> Phenylpyrazole insecticides -> Transformation products|Environmental transformation -> Pesticide transformation products (metabolite, successor)

Agrochemical：

Fipronil-sulfide has known environmental transformation products that include Fipronil.|MB 45950 is a known environmental transformation product of Fipronil.

Computed Properties

Molecular Weight:421.1
XLogP3:5.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:2
Exact Mass:419.9437917
Monoisotopic Mass:419.9437917
Topological Polar Surface Area:92.9
Heavy Atom Count:25
Complexity:526
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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FIPRONIL-SULFIDE

CAS No.: 120067-83-6

Grade: industrial Grade

Content: 98%

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