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16227-10-4

Basic Information
CAS No.: 16227-10-4
Name: 4-Butyl-4H-1,2,4-triazole
Article Data: 9
Molecular Structure:
Molecular Structure of 16227-10-4 (4-Butyl-4H-1,2,4-triazole)
Formula: C6H11 N3
Molecular Weight: 125.173
Synonyms: 4-Butyl-1,2,4-triazole;4-Butyl-4H-1,2,4-triazole; 4-n-Butyl-1,2,4-triazole; BT; BT (pesticide);Butrizol; Dithane R 24; Indar; RH 124; Triazbutil; Triazbutyl
EINECS: 240-351-9
Density: 1.04g/cm3
Boiling Point: 220.9°Cat760mmHg
Flash Point: 87.4°C
Safety: A poison by ingestion and skin contact. When heated to decomposition it emits toxic fumes of NOx.
PSA: 30.71000
LogP: 1.07820
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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%
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    16227-10-4

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    Product Name: 4-Butyl-4H-1,2,4-triazole Synonyms: 4-BUTYL-4H-1,2,4-TRIAZOLE;4-butyl-1,2,4-triazole;Triazbutil;4-N-BUTYL-4H-1,2,4-TRIAZOLE;Butrizol;Dithane R-24;RH-124;4H-1,2,4-Triazole, 4-butyl- CAS: 16227-10-4 MF: C6H11N3 MW: 125.17 EINECS:

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Chemistry

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

Uses

BUTRIZOL is agricultural Chemical.

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.

Safety Profile

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