ChemicalBook--->CAS DataBase List--->112281-77-3

112281-77-3

112281-77-3 Structure

112281-77-3 Structure
IdentificationBack Directory
[Name]

TETRACONAZOLE
[CAS]

112281-77-3
[Synonyms]

ARPEGE
DOMARK
ARBITRE
M-14360
Ag 4454
Eminent
Hsdb 7612
Arpege(TM)
etraconazole
THIABENDZAOLE
TETRACONAZOLE
Tetraconazole [iso]
TETRACONAZOLE STANDARD
Tetraconazole Reference Material
TetraconazoleSolution,10mg/L,1ml
TetraconazoleSolution,100mg/L,1ml
TetraconazoleSolution,10mg/L,5X1ml
TetraconazoleSolution,1,000mg/L,1ml
tetraconazole (bsi,draft-iso)arpege
TetraconazoleSolution,1000mg/L,5x1ml
Tetraconazole@1000 μg/mL in Acetonitrile
Tetraconazole Solution in Acetonitrile, 100μg/mL
1H-1,2,4-Triazole, 1-2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl-
(±)-1-(2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)Propyl)-1H-1,2,4-triazole
(RS)-2-(2,4-Dichlorophenyl)-3-(1H-1,2,4-triazolyl)propyl 1,1,2,2-tetrafluoroethyl ether
(RS)-2-(2,4-Dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propyl=1,1,2,2-tetrafluoroethyl=ether
(±)-2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propyl-1,1,2,2-te-trafluoroethyl ether
[EINECS(EC#)]

407-760-6
[Molecular Formula]

C13H11Cl2F4N3O
[MDL Number]

MFCD01632314
[MOL File]

112281-77-3.mol
[Molecular Weight]

372.15
Chemical PropertiesBack Directory
[Melting point ]

6 °C
[Boiling point ]

438.4±55.0 °C(Predicted)
[density ]

1.50±0.1 g/cm3(Predicted)
[vapor pressure ]

1.8 x l0-4 Pa
[storage temp. ]

0-6°C
[form ]

neat
[pka]

2.68±0.10(Predicted)
[Water Solubility ]

156 mg l-1(pH 7,ZO °C)
[color ]

Colorless to light yellow
[Henry's Law Constant]

2.3×103 mol/(m3Pa) at 25℃, HSDB (2015)
[Major Application]

agriculture
cleaning products
cosmetics
environmental
food and beverages
personal care
[InChI]

1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2
[InChIKey]

LQDARGUHUSPFNL-UHFFFAOYSA-N
[SMILES]

FC(F)C(F)(F)OCC(Cn1cncn1)c2ccc(Cl)cc2Cl
[LogP]

3.560
[EPA Substance Registry System]

Tetraconazole (112281-77-3)
Safety DataBack Directory
[Hazard Codes ]

Xn,N
[Risk Statements ]

20/22-40-51/53
[Safety Statements ]

36/37-41-61-36
[RIDADR ]

UN 3082 9 / PGIII
[WGK Germany ]

3
[REACH Registrations]

Inactive
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Aquatic Chronic 2
[Hazardous Substances Data]

112281-77-3(Hazardous Substances Data)
[Toxicity]

LD50 orally in rats: 1150 mg/kg (Garavaglia)
Hazard InformationBack Directory
[Uses]

Agricultural fungicide.
[Uses]

Tetraconazole controls powdery mildew, brown rust, Septoria and Rhyncosporium on cereals; powdery mildew and scab on apples; powdery mildew on vines and cucumbers; powdery mildew and beet leaf spot on sugar beet and powdery mildew and rust on vegetables.
[Uses]

Tetraconazole is an conazole fungicide used to control pests in apple and strawberries.
[Definition]

ChEBI: 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]1,2,4-triazole is a member of the class of triazoles that is 1,2,4-triazole substituted at position 1 by a 2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl group. It is a member of triazoles, a dichlorobenzene, an ether and an organofluorine compound.
[Production Methods]

The production of tetraconazole involves a multi-step synthetic route starting from 2,4-dichlorophenylacetic acid. First, this acid is esterified using methanol and concentrated sulphuric acid under reflux to form the corresponding methyl ester. This intermediate is then reacted with ethyl acrylate and subjected to a series of transformations involving paraformaldehyde, potassium carbonate, and dimethyl sulfoxide at elevated temperatures to build the core side chain. The resulting compound is further modified by introducing the 1,2,4-triazole ring, typically through nucleophilic substitution or condensation reactions, yielding the final active ingredient.
[Mechanism of action]

Systemic with protectant, eradicant and curative properties. Sterol biosynthesis inhibitor, acts mainly on the vegetative stages of fungi by blocking the mycelial growth either inside or on the surface of the host plant.
[Metabolic pathway]

There is little published information available.
[Degradation]

Tetraconazole decomposes at 240 °C without boiling. It is stable in dilute solutions at pH 5 to 9 and, in water, it is stable to sunlight (PM).
[Pesticide Type]

Fungicide
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