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Basic Information
CAS No.: 96489-71-3
Name: Pyridaben
Article Data: 7
Molecular Structure:
Molecular Structure of 96489-71-3 (Pyridaben)
Formula: C19H25ClN2OS
Molecular Weight: 364.939
Synonyms: Nexter;pyridazinone;2-tert-butyl-5-(4-tert-butylbenzylthio)-4-chloropyridazin-3(2H)-3-one;ACIMITE SUPER;pyridaben Tech;NCI 129;Sanmite;3(2H)-Pyridazinone,4-chloro-2-(1,1-dimethylethyl)- 5-[[[4-(1,1-dimethylethyl)phenyl]methyl]- thio]-;NC 129;4-chloro-2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]pyridazin-3-one;San Miguel sealion virusSanmite;3(2H)-Pyridazinone, 4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-;2-tert-Butyl-5-(4-tert-butyl-benzylthio)-4-chloropyridazin-3(2H)-one;
EINECS: 405-700-3
Density: 1.12 g/cm3
Melting Point: 111-112oC
Boiling Point: 429.9 °C at 760 mmHg
Flash Point: 213.8 °C
Appearance: White solid
Hazard Symbols: ToxicT, DangerousN
Risk Codes: 23/25-50/53
Safety: 36/37-45-60-61
Transport Information: UN 3077
PSA: 60.19000
LogP: 5.24150
Synthetic route
19692-45-6

4-tert-butylbenzyl chloride

96490-18-5

2-tert-butyl-4-chloro-5-mercapto-3(2H)-pyridazinone

96489-71-3

pyridaben

Conditions
ConditionsYield
With sodium carbonate In N,N-dimethyl-formamide87.9%
With sodium carbonate In water; N,N-dimethyl-formamide
With potassium carbonate In benzene
98-51-1

4-tert-butyltoluene

96490-18-5

2-tert-butyl-4-chloro-5-mercapto-3(2H)-pyridazinone

96489-71-3

pyridaben

Conditions
ConditionsYield
With N-Bromosuccinimide; di-tert-butyl peroxide; Bathocuproine; nickel(II) acetate tetrahydrate In benzene at 140℃; for 24h; Inert atmosphere;80%
With di-tert-butyl peroxide; Bathocuproine; nickel(II) acetate tetrahydrate at 140℃; for 24h; Inert atmosphere; Schlenk technique;28%
18880-00-7

1-(bromomethyl)-4-(1,1-dimethylethyl)benzene

96490-18-5

2-tert-butyl-4-chloro-5-mercapto-3(2H)-pyridazinone

96489-71-3

pyridaben

Conditions
ConditionsYield
With sodium carbonate In DMF (N,N-dimethyl-formamide) at 20℃; for 16h;
84956-71-8

2-tert-butyl-4,5-dichloro-2H-pyridazin-3-one

96489-71-3

pyridaben

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium hydrogensulfide / ethanol / 1 h / 0 °C
2: nickel(II) acetate tetrahydrate; Bathocuproine; di-tert-butyl peroxide / 24 h / 140 °C / Inert atmosphere; Schlenk technique
View Scheme
96489-71-3

pyridaben

2-tert-butyl-4-fluoro-5-(4-tert-butylbenzyl)mercapto-3-(2H)-pyridazinone

Conditions
ConditionsYield
With potassium fluoride; [2.2.2]cryptande In dimethyl sulfoxide at 120℃; for 2.5h;25%
With potassium fluoride In dimethyl sulfoxide at 120℃; for 6h;
96489-71-3

pyridaben

1059611-74-3

2-tert-butyl-4-[18F]-fluoro-5-(4-tert-butylbenzyl)-thio-3(2H)-pyridazinone

Conditions
ConditionsYield
Stage #1: With [18F]-potassium fluoride; potassium carbonate; [2.2.2]cryptande In (18O)water; water; acetonitrile
Stage #2: pyridaben In acetonitrile at 100℃; for 0.5h;
96489-71-3

pyridaben

2-t-butyl-4-butyl-5-(p-t-butylbenzylthio)-3(2H)-pyridazinone

Conditions
ConditionsYield
With n-butyllithium In tetrahydrofuran; (2S)-N-methyl-1-phenylpropan-2-amine hydrate; hexane
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Chemistry

Synonyms:2-tert.-Butyl-5-(4-tert.-butylbenzyl)-thio-4-chloro-3-dihydropyridazinone;2-tert-butyl-5-(4-tert-butyl-benzylthio)-4-chloropyridazin-3(2h)-one;3(2h)-pyridazinone,4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)ph;enyl)methyl)thio)-;nc129;nci129;ACIMITE SUPER;4-Chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-3(2H)-pyridazinone
Formula:C19H25ClN2OS
Molecular Weight:364.94
EINECS:405-700-2
Melting Point:111-112℃
Density: 1.2.
Formulations 20%WS,20%WP,15%EW,15%EC,35%SC
Appearance: Pure for white tasteless crystalline solid

Uses

This product can be used in miticide and insecticide.

Toxicity Data With Reference

RTECS UR6149000

Safety Profile

Hazard Codes: T;N,N,T
Risk Statements: 23/25-50/53
Safety Statements: 36/37-45-60-61
RIDADR: UN 3077
HazardClass: 6.1(a)
PackingGroup: II

Specification

This product should be stored in a cool, dry location away from heat or open flame and the ideal storage temp. should be 0-6°C. This product should be avoided from contacting with strong oxidizing agents.
This product is stable in PH 4-9.ave a bit stimulating taste.