ChemicalBook--->CAS DataBase List--->79983-71-4

79983-71-4

79983-71-4 Structure

79983-71-4 Structure
IdentificationBack Directory
[Name]

Hexaconazole
[CAS]

79983-71-4
[Synonyms]

ANVIL
CONTAF
pp 523
Canvil
Ranvil
Sitara
FD-4053
PC-1002
PLANETE
R154523
Blin Exa
Contaf 5EC
79983-71-4
HEXACONAZOL
HEXACONZOLE
Contaf Plus
FlowMax 5SC
Clortriafol
Hexconazole
HEXACONAZOLE
Hexaconazole 0
Trueno(Dow-Elanco)
XRD 473(Dow-Elanco)
Anril Planete Asten
HEXACONAZOLE TECHNICAL
Hexaconazole suspension
hexaconazole (bsi,ansi,iso)
Hexaconazole 500mg [79983-71-4]
FENBUTATIN OXIDE PESTANAL (BIS(TRIS-(2-M
A-BUTYL-A-(2,4-DICHLOROPHENYL)-1H-1,2,4-TRIAZOLE-1-ETHANOL
(±)-2-(2,4-dichlorophenyl)-1-(1h-1,2,4-triazol-1-yl)-2-hexanol
(rs)-2-(2,4-dichlorophenyl)-1-(1h-1,2,4-triazol-1-yl)hexan-2-ol
(rs)-2-(2,4-dichlorophenyl)-1-(4h-1,2,4-triazol-4-yl)hexan-2-ol
(rs)-2-(2,4-dichlorophenyl)-1-(4h-1,2,4-triazole-4-yl)hexan-2-ol
alpha-butyl-alpha-(2,4-dichlorophenyl)-(+-)-1h-4-triazole-1-ethanol
(+/-)-alpha-Butyl-alpha-(2,4-dichlorophenyl)-1,2,4-Triazole-1-ethanol
4-dichlorophenyl)-1h-1,2,4-triazole-1-ethanol(+-)-alpha-butyl-alpha-(
(+/-)-alpha-Butyl-alpha-(2,4-dichlorophenyl)-1,2,4-Triazole-1-ethanol
1H-1,2,4-Triazole-1-ethanol, .alpha.-butyl-.alpha.-(2,4-dichlorophenyl)-
hexaconazole (ISO) (RS)-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol
1-[3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl-3-(2,6-dichlorofluoro benzoyl]urea
[EINECS(EC#)]

413-050-7
[Molecular Formula]

C14H17Cl2N3O
[MDL Number]

MFCD00144441
[MOL File]

79983-71-4.mol
[Molecular Weight]

314.21
Chemical PropertiesBack Directory
[Melting point ]

111°C
[Boiling point ]

490.3±55.0 °C(Predicted)
[density ]

d25 1.29
[vapor pressure ]

1.8 x l0-6 Pa (20 °C)
[refractive index ]

1.5490 (estimate)
[storage temp. ]

0-6°C
[solubility ]

DMSO: Soluble; Methanol: Soluble
[form ]

neat
[pka]

12.26±0.29(Predicted)
[Water Solubility ]

17 mg l-1(20 °C)
[color ]

White to off-white
[Merck ]

13,4700
[BRN ]

8328399
[Henry's Law Constant]

2.8×101 mol/(m3Pa) at 25℃, Barcelo and Hennion (1997)
[Major Application]

agriculture
environmental
[InChI]

1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3
[InChIKey]

STMIIPIFODONDC-UHFFFAOYSA-N
[SMILES]

CCCCC(O)(Cn1cncn1)c2ccc(Cl)cc2Cl
[NIST Chemistry Reference]

1H-1,2,4-triazole-1-ethanol, «alpha»-butyl-«alpha»-(2,4-dichlorophenyl)-, (.+/-.)-(79983-71-4)
[EPA Substance Registry System]

1H-1,2,4-Triazole-1-ethanol, .alpha.-butyl-.alpha.-(2,4-dichlorophenyl)-(79983-71-4)
Hazard InformationBack Directory
[Chemical Properties]

Off-White to Pale Yellow Solid
[Usage]

Hexaconazole is a systematic fungicide of the triazole class. Hexaconazole has a broad spectrum antifungal activity and is commonly used in the control of apple, coffee and peanut diseases.
[Uses]

Agricultural fungicide.
[Uses]

Hexaconazole is a systematic fungicide of the triazole class. Hexaconazole has a broad spectrum antifungal activity and is commonly used in the control of apple, coffee and peanut diseases.
[Uses]

Hexaconazole is a systemic fungicide used for the control of many fungi, particularly Ascomycetes and Basidiomycetes on a variety of crops. It controls powdery mildews, scabs and rusts of vines, pome fruits, vegetables and major diseases of small grain cereals.
[Definition]

ChEBI: 2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol is a member of the class of triazoles that is 1-hexyl-1H-1,2,4-triazole in which the hydrogens at position 2 of the hexyl chain are replaced by hydroxy and 2,4-dichlorophenyl groups. It has a role as a chelator. It is a tertiary alcohol, a member of triazoles and a dichlorobenzene.
[Mechanism of action]

Broad-spectrum, systemic with protective and curative action. Disrupts membrane function. Sterol biosynthesis inhibitor.
[Synthesis]

N-BUTYLMAGNESIUM BROMIDE

693-03-8

1-(2,4-DICHLOROLPHENYL)-2-(1H-1,2,4-TRIAZOLE-1-YL)-ETHANONE

58905-16-1

Hexaconazole

79983-71-4

General procedure: butylmagnesium bromide was prepared according to the literature method. Under nitrogen protection, magnesium bromide diethyl ether compound (0.28 g, 1.08 mmol) was slowly added to a dichloromethane solution (2 mL) of (2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-1-ethanone (0.10 g, 0.45 mmol) in stirring. The reaction mixture was stirred at room temperature for 90 min and then cooled to 0°C, followed by the slow dropwise addition of an ether solution of methylmagnesium bromide (3.0 M, 0.41 mL, 1.21 mmol). The reaction system was slowly warmed to room temperature and stirring was continued for 12 hours. Upon completion of the reaction, the reaction was quenched with saturated aqueous ammonium chloride solution (2 mL) and extracted with dichloromethane (3 x 5 mL). The organic phases were combined and concentrated under reduced pressure to give the crude product. The crude product was purified by silica gel column chromatography (eluent: methanol/dichloromethane=5:95, Rf=0.20) to afford the target compound 2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol (0.035 g, 33% yield) as a white solid.

[Metabolic pathway]

Metabolism of hexaconazole in plants involves primarily oxidation of the alkyl side chain.
[Degradation]

Hexaconazole is stable for at least 6 years at ambient temperature. It is stable to hydrolysis and photolysis in water.
[Pesticide Type]

Fungicide
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
[Signal word ]

Warning
[Hazard statements ]

H302-H317-H411
[Precautionary statements ]

P261-P264-P273-P280-P301+P312-P302+P352
[Hazard Codes ]

Xn;N,N,Xn
[Risk Statements ]

22-43-51/53
[Safety Statements ]

2-24-37-61
[RIDADR ]

UN3077 9/PG 3
[WGK Germany ]

2
[RTECS ]

XZ4803200
[REACH Registrations]

Inactive
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Chronic 2
Skin Sens. 1
[Toxicity]

LD50 orally in mallard ducks, male rats, female rats: >4000, 2189, 6071 mg/kg; dermally in rats: >2000 mg/kg; LC50 (96 hour) in rainbow trout: >6.7 mg/l (Shephard)
Questions And AnswerBack Directory
[Description]

Hexaconazole is a kind of broad-spectrum systemic trazole fungicide. It can be used for the treatment of many kind of fungi diseases caused by ascomycetes, basidiomycetes, and imperfect fungi. It is especially suitable for the treatment of fungi diseases such as powdery mildew, rust, scab, brown blotch and anthracnose caused by ascomycetes and basidiomycetes. In China, India and some other Asian countries, it is mainly used for the control of rice sheath blight. It is applicable to apples, grapes, bananas, vegetables, peanuts, and cereal crops as well as ornament plants. Its mechanism of action is through inhibiting the biosynthesis of ergosterol (a key component of the fungi membrane) of fungi. 
[References]

https://en.wikipedia.org/wiki/Hexaconazole
http://xb-agrochemical.com/3-5-hexaconazole.html/130471
http://krepl.in/wp-content/uploads/2014/10/KRIZOLE-5.pdf
Spectrum DetailBack Directory
[Spectrum Detail]

Hexaconazole(79983-71-4)1HNMR
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