CAS No.43121-43-3,Triadimefon Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	43121-43-3
Name:	Triadimefon
Article Data:	39

Formula:	C₁₄H₁₆ClN₃O₂
Molecular Weight:	293.753
Synonyms:	EPA Pesticide Chemical Code 109901;Tidifon;1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-butan-2-one;Triazolone;1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone;Bayleton PB;Triadimefon [BSI:ISO];2-Butanone, 1- (4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-;1H-1,2,4-Triazole, 1-((tert-butylcarbonyl-4-chlorophenoxy)methyl)-;Tenor;Bayleton special;2-Butanone, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)- (9CI);Nurex;MEB 6447;Diametom B;Bayleton BM;1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butanone;Bayleton triple;Azocene;Triadimefone [ISO-French];Bayleton;BAY-MEB-6447;Mighty;Reach;Otria 25;1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2, 4-triazol-1-yl)-butan-2-one;BAY 6681 F;Bayleton Total;2-Butanone, 1-(4-chlorophenoxy)-3, 3-dimethyl-1-(1,2,4-triazol-1-yl)-;Acizol;Miltek;Adifon;
EINECS:	256-103-8
Density:	1.23 g/cm³
Melting Point:	82 °C
Boiling Point:	441.9 °C at 760 mmHg
Flash Point:	221 °C
Solubility:	0.026 g/100 mL in water
Appearance:	Colorless to pale yellow crystalline solid with a slight odor
Hazard Symbols:	Xn, N, T, F
Risk Codes:	22-43-51/53-39/23/24/25-23/24/25-11
Safety:	24-37-61-45-36/37
Transport Information:	UN 2588
PSA:	57.01000
LogP:	3.12430

Synthetic route

: 118227-32-0
4-Amino-1-[1-(4-chloro-phenoxy)-3,3-dimethyl-2-oxo-butyl]-4H-[1,2,4]triazol-1-ium; chloride

: 43121-43-3
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one

Conditions

Conditions	Yield
With hydrogenchloride; sodium nitrite at 0 - 20℃;	81%

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

: 1-(4-chlorophenoxy)-1-chloro-3,3-dimethyl-butan-2-one

: 43121-43-3
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one

Conditions

Conditions	Yield
With hydrogenchloride; sodium hydroxide; potassium carbonate In water; acetone; toluene
With hydrogenchloride; sodium hydroxide; potassium carbonate In water; acetone; toluene
With hydrogenchloride; sodium hydroxide; potassium carbonate In water; acetone; toluene

: 73804-20-3
(R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one

: 43121-43-3
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one

Conditions

Conditions	Yield
In water pH=6.0; Kinetics; Activation energy; pH-value;

: 89497-67-6
(S)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one

: 43121-43-3
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one

Conditions

Conditions	Yield
In water pH=6.0; Kinetics; Activation energy; pH-value;

: 288-36-8
1,2,3-triazole

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

: 106-48-9
4-chloro-phenol

: 43121-43-3
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one

Conditions

Conditions	Yield
Stage #1: 1,2,3-triazole; 1-chloro-3,3-dimethyl-butan-2-one; 4-chloro-phenol With potassium carbonate In dichloromethane at 100℃; for 4h; Stage #2: With sulfuryl dichloride In dichloromethane at 50℃; for 3h; Temperature; Solvent;

...Expand

: 43121-43-3
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one

: triadimenol

Conditions

Conditions	Yield
With aluminum isopropoxide In isopropyl alcohol at 150℃; for 8h; Temperature; Inert atmosphere;	99.6%

: 1765-93-1
4-fluoroboronic acid

: 43121-43-3
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one

: 1527518-40-6
1-(4'-fluorobiphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one

Conditions

Conditions	Yield
With palladium on activated charcoal; potassium carbonate; CyJohnPhos In N,N-dimethyl acetamide; water at 80℃; for 48h; Suzuki Coupling; Schlenk technique; Inert atmosphere;	98%

: 43121-43-3
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one

: 98-80-6
phenylboronic acid

: 43121-37-5
1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one

Conditions

Conditions	Yield
With palladium on activated charcoal; potassium carbonate; CyJohnPhos In N,N-dimethyl acetamide; water at 105℃; for 2h; Temperature; Suzuki Coupling; Schlenk technique; Inert atmosphere; Microwave irradiation;	97%
With palladium on activated charcoal; potassium carbonate; CyJohnPhos In N,N-dimethyl acetamide; water at 80℃; for 48h; Temperature; Time; Concentration; Reagent/catalyst; Suzuki Coupling; Schlenk technique; Inert atmosphere;	85%

: 2-(1-chloro-cycloprop-1-yl)-2-(2'-chloro-benzyl)-oxirane

: 43121-43-3
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one

: 2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(2,5-dihydro-1H-1,2,4-triazol-1-yl) propan-2-ol

Conditions

Conditions	Yield
With potassium carbonate In methanol at 25℃; for 1h; Reflux;	90%

: copper(II) choride dihydrate

: 64-17-5
ethanol

: 43121-43-3
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one

: [Cu(1-(4-chlorophenoxy)-3,3-dimethyl-1-H(1,2,4-triazole-1-yl)-2-butanone)2Cl2(EtOH)]

Conditions

Conditions	Yield
for 6h; Reflux;	85%

...Expand

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Chemistry

IUPAC Name: 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one
Molecular Formula: C₁₄H₁₆ClN₃O₂
Molecular Weight: 293.75 g/mol
SMILES: n1([C@@H](Oc2ccc(Cl)cc2)C(C(C)(C)C)=O)cncn1
InChI: InChI=1/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3
EINECS: 256-103-8
Classification Code: Agricultural Chemical; Drug / Therapeutic Agent; Fungicide; Fungicide, bactericide, wood preservative; Fungicides, industrial; Mutation data; Pesticides
Product Categories: FUNGICIDE; 2000/60/EC; Alpha sort; ConazolesMethod Specific; Endocrine Disruptors (Draft) Pesticides & Metabolites; EPA; European Community: ISO and DIN; Fungicides; Pesticides; Q-ZAlphabetic; TP-TZMethod Specific; Endocrine Disruptors (Draft)Alphabetic
storage temperature: APPROX 4 °C
Water Solubility: 0.026 g/100 mL
Index of Refraction: 1.579
Molar Refractivity: 78.85 cm³
Molar Volume: 237 cm³
Polarizability: 31.25×10^-24cm³
Surface Tension: 42.4 dyne/cm
Density: 1.23 g/cm³
Flash Point: 221 °C
Enthalpy of Vaporization: 69.92 kJ/mol
Boiling Point: 441.9 °C at 760 mmHg
Melting Point: 82 °C
Vapour Pressure of Triadimefon (CAS NO.43121-43-3): 5.26E-08 mmHg at 25 °C

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
dog	LD50	oral	> 500mg/kg (500mg/kg)	Pesticide Manual. Vol. 9, Pg. 831, 1991.
mouse	LC50	inhalation	2337mg/m3 (2337mg/m3)	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 34(5), Pg. 64, 1990.
mouse	LD50	oral	1gm/kg (1000mg/kg)	Pesticide Manual. Vol. 9, Pg. 831, 1991.
quail	LD50	oral	1750mg/kg (1750mg/kg)	Pesticide Manual. Vol. 9, Pg. 831, 1991.
rabbit	LD50	oral	500mg/kg (500mg/kg)	"Wirksubstanzen der Pflanzenschutz und Schadlingsbekampfungsmittel," Perkow, W., Berlin, Verlag Paul Parey, 1971-1976Vol. -, Pg. -, 1971/1976.
rat	LC50	inhalation	2450mg/m3 (2450mg/m3)	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 34(5), Pg. 64, 1990.
rat	LD50	oral	363mg/kg (363mg/kg)	Defense des Vegetaux. Vol. 31, Pg. 97, 1977.
rat	LD50	skin	> 5gm/kg (5000mg/kg)	Farm Chemicals Handbook. Vol. -, Pg. C38, 1991.

Safety Profile

Poison by ingestion. Mutation data reported. When heated to decomposition it emits very toxic fumes of Cl⁻ and NO_x.
Hazard Codes: Harmful Xn, Dangerous N, Toxic T, Flammable F
Risk Statements: 22-43-51/53-39/23/24/25-23/24/25-11
R22:Harmful if swallowed.
R43:May cause sensitization by skin contact.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R39:Danger of very serious irreversible effects.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
R11:Highly flammable.
Safety Statements: 24-37-61-45-36/37
S24:Avoid contact with skin.
S37:Wear suitable gloves.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37:Wear suitable protective clothing and gloves.
RIDADR: 2588
RTECS: EL7100000
HazardClass: 6.1(b)
PackingGroup of Triadimefon (CAS NO.43121-43-3): III

Specification

Triadimefon (CAS NO.43121-43-3), its Synonyms are 1-(1,2,4-Triazoyl-1)-1-(4-chloro-phenoxy)-3,3-dimethylbutanone ; 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-butan-2-one ; 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone ; 1H-1,2,4-Triazole, 1-((tert-butylcarbonyl-4-chlorophenoxy)methyl)- ; Acizol ; Adifon ; Amiral ; Azocene ; Bayleton CF ; Bayleton Total ; Bayleton triple . It is colorless to pale yellow crystalline solid with a slight odor.