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 pictograms
GHS Signal word	Warning
GHS hazard statements	H302, H317, H411
GHS 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).

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.

References

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

External links

Hexaconazole in the Pesticide Properties DataBase (PPDB)

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

[1]

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^[1]
Chemical formula	C₁₄H₁₇Cl₂N₃O
Molar mass	314.21 g·mol⁻¹
Appearance	White crystalline solid
Melting point	111 °C (232 °F; 384 K)
Hazards
GHS pictograms
GHS Signal word	Warning
GHS hazard statements	H302, H317, H411
GHS precautionary statements	P273, P280
Lethal dose or concentration (LD, LC):
LD₅₀ (median dose)	6071 mg/kg (oral, female rat)^[1]
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).