Hexaconazole

Hexaconazole

Preferred IUPAC name Hexaconazole
Systematic name 2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol
Identifiers
CAS number	79983-71-4^Y
PubChem	66461, 37888330 (R), 37888329 (S)
ChemSpider	59833^Y, 21173802 (S)^Y
EC number	413-050-7
UN number	3077
KEGG	C18466^Y
MeSH	Hexaconazole
RTECS number	XZ4803200
Beilstein Reference	8328399
Jmol-3D images	Image 1 Image 2
SMILES CCCCC(O)(Cn1cncn1)c1ccc(Cl)cc1Cl CCCCC(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1Cl
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^Y Key: STMIIPIFODONDC-UHFFFAOYSA-N^Y
Properties^[1]
Molecular formula	C₁₄H₁₇Cl₂N₃O
Molar mass	314.21 g mol⁻¹
Exact mass	313.074867595 g mol^-1
Appearance	White crystalline solid
Melting point	111 °C, 384 K, 232 °F
Hazards
GHS pictograms
GHS signal word	Warning
GHS hazard statements	H302, H317, H411
GHS precautionary statements	P273, P280
EU classification	Xn N
R-phrases	R22, R43, R51/53
S-phrases	S24, S37, S61
LD₅₀	6071 mg/kg (oral, female rat)^[1]
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)
Infobox references

Hexaconazole is a systemic fungicide used for the control of many fungi particularly Ascomycetes and Basidiomycetes.

References