Hexaconazole

Hexaconazole
Names
	Systematic IUPAC name 2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol
Identifiers
CAS Number	79983-71-4 ;
3D model (JSmol)	Interactive image; Interactive image;
Beilstein Reference	8328399
ChemSpider	59833 ; 21173802 (S) ;
ECHA InfoCard	100.101.232
EC Number	413-050-7;
KEGG	C18466 ;
MeSH	Hexaconazole
PubChem CID	66461; 37888330 (R); 37888329 (S);
RTECS number	XZ4803200;
UNII	SX9R3X1FQV ;
UN number	3077
CompTox Dashboard (EPA)	DTXSID4034653 ;
	InChI 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 Key: STMIIPIFODONDC-UHFFFAOYSA-N ;
	SMILES CCCCC(O)(Cn1cncn1)c1ccc(Cl)cc1Cl; CCCCC(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1Cl;
Properties
Chemical formula	C14H17Cl2N3O
Molar mass	314.21 g·mol−1
Appearance	White crystalline solid
Melting point	111 °C (232 °F; 384 K)
Hazards
	GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H302, H317, H411
Precautionary statements	P273, P280
	Lethal dose or concentration (LD, LC):
LD50 (median dose)	6071 mg/kg (oral, female rat)
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Hexaconazole is a broad-spectrum systemic triazole fungicide used for the control of many fungi particularly Ascomycetes and Basidiomycetes. Major consumption is in Asian countries and it is used mainly for the control of rice sheath blight in China, India, Vietnam, and parts of East Asia. It is also used for control of diseases in various fruits and vegetables.^{[citation needed]}

Physical and Chemical Properties[edit]

Hexaconazole has a density of 1.29 g/cm³ (25℃), vapour pressure of 0.018 mPa (20℃), Henry constant of 3.33 × 10^-4 Pa m³/mol and Partition coefficient (n-octanol and water):logP of 3.9 (20℃). It's solubility in water is 0.017 g/L (20℃) and it has a pH of 6.8 as a 1% solution (25℃). It is stable to hydrolysis and photolysis in water.

Toxicology[edit]

The acute oral toxicity LD₅₀ of Hexaconazole is 2189 mg/kg for male rats and 6071 mg/kg for female rats. The acute percutaneous LD₅₀ of Hexaconazole for rats is > 2000 mg/kg. It is a mild irritant to eyes and non irritating to skin on rabbits. It is a moderate skin sensitiser to guinea pigs. The inhalation LC₅₀ for rats is > 5.9 mg/L.

Environmental Profile[edit]

Ecotoxicology[edit]

Its acute oral and contact LD₅₀ for honeybees is > 0.1 mg/bee, the acute oral and contact LD₅₀ for honeybees is > 0.1 mg/bee. In birds, its acute oral LD for mallard ducks > 4000 mg/kg.

Environmental Fate[edit]

It is readily excreted by mammals, with no significant retention in organs or tissues. It rapidly degrads in soils in laboratory tests.

References[edit]

^ ^a ^b Hexaconazole, Crop Protection Dictionary, Farm Chemicals International

External links[edit]

Hexaconazole in the Pesticide Properties DataBase (PPDB)

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[CPD-1] Hexaconazole, Crop Protection Dictionary, Farm Chemicals International

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