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107534-96-3

Basic Information
CAS No.: 107534-96-3
Name: Tebuconazole
Article Data: 35
Molecular Structure:
Molecular Structure of 107534-96-3 (Tebuconazole)
Formula: C16H22ClN3O
Molecular Weight: 307.823
Synonyms: Fenetrazole;BAY-HWG 1608;Tebuconazole 95%TC;LYNX;Preventol A 8;Etiltrianol;Folicur;Elite;Tebuconazole (+-);Raxil;Terbutrazole;HWG 1608;Ethyltrianol;tebuconazolel;1-(4-chlorphenyl)-4,4-dimethyl-3-(1H-1,2,4-triazole-1-methyl)amyl-3-alcohol;Tebuconazole Technical;1,2,4-triazol-1-ylmethyl)pentan-3-ol;Tebuconazole Tech;
EINECS: 403-640-2
Density: 1.14 g/cm3
Melting Point: 102-105 °C
Boiling Point: 476.9 °C at 760 mmHg
Flash Point: 242.2 °C
Solubility: 32 mg/L at 20 °C in water
Appearance: Powder
Hazard Symbols: HarmfulXn,DangerousN
Risk Codes: 22-51/53-63
Safety: 2-22-36/37-61
PSA: 50.94000
LogP: 3.34150
Synthetic route
97821-63-1

tebuconazole

107534-96-3

tebuconazole

Conditions
ConditionsYield
With 3-(bromomethyl)-1-(4-chlorophenyl)-4,4-dimethylpentan-3-ol; potassium hydroxide In N,N-dimethyl-formamide at 150℃; for 4h; Reagent/catalyst; Solvent; Temperature;96.5%
With sodium hydroxide In 1-methyl-pyrrolidin-2-one; dichloromethane; water93.8%
With sodium hydroxide In 1-methyl-pyrrolidin-2-one; dichloromethane; water84.9%
288-88-0

1,2,4-Triazole

80443-63-6

2-[2-(4-chlorophenyl)ethyl]-2-(1,1-dimethylethyl)ethylene oxide

107534-96-3

tebuconazole

Conditions
ConditionsYield
With 18-crown-6 ether; potassium hydroxide at 108 - 128℃; for 15h; Temperature; Reagent/catalyst;95%
With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide In N,N-dimethyl-formamide at 80 - 102℃; Reagent/catalyst;95.6%
With potassium hydroxide In neat (no solvent) at 130℃; for 7h; Reagent/catalyst; Temperature; Time;94%
With potassium hydroxide In diethylene glycol dimethyl ether at 100 - 120℃; for 11h; Temperature;92.1%
41253-21-8

sodium triazole

66346-01-8

1-(4-chlorophenyl)-4,4-dimethyl-pentan-3-one

107534-96-3

tebuconazole

Conditions
ConditionsYield
With trimethyl sulfoxonium chloride; potassium hydroxide In dimethyl sulfoxide at 40 - 120℃;91%

C3H4BrMgN3

66346-01-8

1-(4-chlorophenyl)-4,4-dimethyl-pentan-3-one

107534-96-3

tebuconazole

Conditions
ConditionsYield
Stage #1: C3H4BrMgN3; 1-(4-chlorophenyl)-4,4-dimethyl-pentan-3-one In tetrahydrofuran for 2h; Green chemistry;
Stage #2: With acetic acid In tetrahydrofuran; water for 1h; Green chemistry;
78%
288-88-0

1,2,4-Triazole

2-(4-chloro-phenyl-ethyl)-2-tert-butyl-oxirane

764-28-3

(E)-3,3'-(diazene-1,2-diyl)bis(2-methylpropanenitrile)

107534-96-3

tebuconazole

Conditions
ConditionsYield
With sodium hydroxide In 1-methyl-pyrrolidin-2-one; benzene
107534-96-3

tebuconazole

77-92-9

citric acid

(RS)-1-(4-chlorophenyl)-4,4-dimethyl-3-[(1H-1,2,4-triazol-4-ium)-1-ylmethyl]pentan-3-ol dihydrogen citrate

Conditions
ConditionsYield
In methanol at 20℃;99%
87-69-4

L-Tartaric acid

107534-96-3

tebuconazole

(RS)-1-(4-chlorophenyl)-4,4-dimethyl-3-[(1H-1,2,4-triazol-4-ium)-1-ylmethyl]pentan-3-ol L-tartrate

Conditions
ConditionsYield
In methanol at 20℃;99%
107534-96-3

tebuconazole

C16H21(2)HClN3O

Conditions
ConditionsYield
With deuteromethanol; silver carbonate at 50 - 80℃;99%

18α-glycyrrhizic acid

107534-96-3

tebuconazole

C42H62O16*C16H22ClN3O

Conditions
ConditionsYield
In methanol Reflux;98%
47221-31-8

dodecylbenzene-sulphonic acid

107534-96-3

tebuconazole

(RS)-1-(4-chlorophenyl)-4,4-dimethyl-3-[(1H-1,2,4-triazol-4-ium)-1-ylmethyl]pentan-3-ol 4-dodecylbenzenesulfonate

Conditions
ConditionsYield
In methanol at 20℃;98%
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Chemistry

Molecular structure of Tebuconazole (CAS NO.107534-96-3) is:

Product Name: Tebuconazole
CAS Registry Number: 107534-96-3
IUPAC Name: 1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
Molecular Weight: 307.81838 [g/mol]
Molecular Formula: C16H22ClN3O
XLogP3: 3.7
H-Bond Donor: 1
H-Bond Acceptor: 3 
EINECS: 403-640-2
Melting Point: 102-105 °C
Water Solubility: 32 mg/L at 20 °C
Surface Tension: 40.8 dyne/cm
Density: 1.14 g/cm3
Flash Point: 242.2 °C
Enthalpy of Vaporization: 78.02 kJ/mol
Boiling Point: 476.9 °C at 760 mmHg
Vapour Pressure: 6.69E-10 mmHg at 25°C
 Product Categories: Fungicide;Pesticide

Uses

 Tebuconazole (CAS NO.107534-96-3) is a high-effect fungicide,which is used for important economic crop seed treatment or foliar spraying.It can effectively control many rust disease for cereal crop.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - domestic LD50 oral > 1gm/kg (1000mg/kg)   Pesticide Manual. Vol. 9, Pg. 785, 1991.
chicken LD50 oral 4488mg/kg (4488mg/kg)   Pesticide Manual. Vol. 9, Pg. 785, 1991.
mouse LD50 oral 1615mg/kg (1615mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: ATAXIA
National Technical Information Service. Vol. OTS0545183,
quail LD50 oral 2912mg/kg (2912mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
National Technical Information Service. Vol. OTS0545273,
rabbit LD50 oral 1gm/kg (1000mg/kg) BEHAVIORAL: FOOD INTAKE (ANIMAL) National Technical Information Service. Vol. OTS0545183,
rat LC50 inhalation > 800mg/m3/4H (800mg/m3)   Pesticide Manual. Vol. 9, Pg. 785, 1991.
rat LD50 intraperitoneal 395mg/kg (395mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
National Technical Information Service. Vol. OTS0545183,
rat LD50 oral 3352mg/kg (3352mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA

KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED
National Technical Information Service. Vol. OTS0545183,
rat LD50 skin > 5gm/kg (5000mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C294, 1991.

Safety Profile

A poison by inhalation route. Moderately toxic by ingestion and skin contact routes. When heated to decomposition it emits toxic vapors of NOx and Cl.
Hazard Codes: Xn: Harmful; N: Dangerous for the environment.
Hazard Codes: HarmfulXn,DangerousN
Risk Statements: 22-51/53-63 
R22:Harmful if swallowed. 
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 
R63:Possible risk of harm to the unborn child.
Safety Statements: 2-22-36/37-61 
S2:Keep out of the reach of children. 
S22:Do not breathe dust. 
S36/37:Wear suitable protective clothing and gloves. 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN 3077 9/PG 3
RTECS: XZ4803270

Specification

 Tebuconazole , its cas register number is 107534-96-3. It also can be called (+/-)-alpha-(2-(4-chlorophenyl)ethyl)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazol-1-ethanol ; Elite ; Folicur 1.2 EC ; GWG 1609 ; HWG 1608 ; Lynx 1.2 ; Raxil .