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Name 4-Butyl-4H-1,2,4-triazole
EINECS240-351-9
CAS No. 16227-10-4
Density1.04g/cm³
PSA30.71000
LogP1.07820
SolubilityN/A
Melting PointN/A
FormulaC6H11 N3
Boiling Point220.9°Cat760mmHg
Molecular Weight125.173
Flash Point87.4°C
Transport InformationN/A
AppearanceN/A
SafetyA poison by ingestion and skin contact. When heated to decomposition it emits toxic fumes of NO_x.
Risk CodesN/A
Molecular Structure
Hazard SymbolsN/A
SynonymsN/A
Article Data9

4-Butyl-4H-1,2,4-triazole Synthetic route

: 288-88-0
1,2,4-Triazole

: 109-65-9
1-bromo-butane

A: 6086-22-2
1-butyl-1H-[1,2,4]triazole

B: 16227-10-4
4-n-butyl-1,2,4-triazole

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In tetrahydrofuran at 0 - 20℃; Alkylation;	A 85% B n/a
With aluminum oxide; potassium fluoride; tetrabutylammomium bromide for 24h; Ambient temperature; Yield given. Yields of byproduct given;
With sodium hydroxide In N,N-dimethyl-formamide at 20℃; Alkylation;

: 288-88-0
1,2,4-Triazole

: 109-65-9
1-bromo-butane

A: 6086-22-2
1-butyl-1H-[1,2,4]triazole

B: 16227-10-4
4-n-butyl-1,2,4-triazole

C: 1,4-dibutyl-4H-1,2,4-triazol-1-ium bromide

Conditions

Conditions	Yield
With lithium hydroxide; tetrabutylammomium bromide for 24h; Product distribution; Ambient temperature; also benzotriazole; other alkyl halides; var. base as reagents; also reactions in the absence of base; var. temperatures and reaction time; also with conventional heating or microwave heating instead of phase transfer catalysis;

: 109-73-9
N-butylamine

: 122-51-0
orthoformic acid triethyl ester

: 624-84-0
formic acid hydrazide

: 16227-10-4
4-n-butyl-1,2,4-triazole

Conditions

Conditions	Yield
Stage #1: orthoformic acid triethyl ester; formic acid hydrazide In methanol Heating; Stage #2: N-butylamine In methanol Heating; Further stages.;

: 288-88-0
1,2,4-Triazole

: 542-52-9
Dibutyl carbonate

: 16227-10-4
4-n-butyl-1,2,4-triazole

Conditions

Conditions	Yield
With magnesium carbonate at 200℃; for 20h; Inert atmosphere;	5.25 g

: 74-83-9
methyl bromide

: 16227-10-4
4-n-butyl-1,2,4-triazole

: 1268852-02-3
4-butyl-1-methyl-4H-1,2,4-triazol-1-ium bromide

Conditions

Conditions	Yield
In acetonitrile for 36h; Reflux; Inert atmosphere; Schlenk technique;	96%

: 507-19-7
t-butyl bromide

: 16227-10-4
4-n-butyl-1,2,4-triazole

: 4-butyl-1-tert-butyl-4H-1,2,4-triazol-1-ium bromide

Conditions

Conditions	Yield
In acetonitrile for 36h; Reflux; Inert atmosphere; Schlenk technique;	92%

: 16227-10-4
4-n-butyl-1,2,4-triazole

: 1343472-85-4
BH2(C2H2N3(C4H9))2(1+)*I(1-)=[BH2(C2H2N3(C4H9))2]I

Conditions

Conditions	Yield
With trimethylamine-borane; iodine In toluene for 24h; Reflux;	85.8%

: 75-22-9
trimethylamine-borane

: 7553-56-2
iodine

: 16227-10-4
4-n-butyl-1,2,4-triazole

: 1343472-85-4
BH2(C2H2N3(C4H9))2(1+)*I(1-)=[BH2(C2H2N3(C4H9))2]I

Conditions

Conditions	Yield
In toluene I2 added to toluene soln. of Me3NBH3 , stirred at room temp. for 1 h, ligand added (1:2:4 molar ratio), mixt. refluxed for 24 h; filtered off, washed (hexane, Et2O, toluene), dried (80°C, vac.),recrystd. (hot EtOH), elem. anal.;	85.8%

4-Butyl-4H-1,2,4-triazole Chemical Properties

BUTRIZOL 's Molecular formula: C₆H₁₁N₃
BUTRIZOL 's Molar mass: 125.17
Structure:

EINECS: 240-351-9
Synonyms: 4-BUTYL-4H-1,2,4-TRIAZOLE;4-butyl-1,2,4-triazole;Triazbutil;4-N-BUTYL-4H-1,2,4-TRIAZOLE;Dithane R-24;Butrizol;RH-124

4-Butyl-4H-1,2,4-triazole Uses

BUTRIZOL is agricultural Chemical.

4-Butyl-4H-1,2,4-triazole Toxicity Data With Reference

1.		orl-rat LD50:50 mg/kg		85ARAE Agricultural Chemicals, 4 (1976/77),94.
2.		skn-rbt LD50:315 mg/kg		FMCHA2 Farm Chemicals Handbook .(Meister Publishing,Willoughy, OH.: )1983,C131.

4-Butyl-4H-1,2,4-triazole Safety Profile

A poison by ingestion and skin contact. When heated to decomposition it emits toxic fumes of NO_x.
RTECS: XZ4150000

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Product Name

4-Butyl-4H-1,2,4-triazole

4-Butyl-4H-1,2,4-triazole Synthetic route

4-Butyl-4H-1,2,4-triazole Chemical Properties

4-Butyl-4H-1,2,4-triazole Uses

4-Butyl-4H-1,2,4-triazole Toxicity Data With Reference

4-Butyl-4H-1,2,4-triazole Safety Profile

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