Hexaconazole
CAS Registry Number®
79983-71-4
CAS Name
HexaconazoleMolecular Formula
C14H17Cl2N3OMolecular Mass
314.21Cite this Page
Hexaconazole. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=79983-71-4 (retrieved ) (CAS RN: 79983-71-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
111 °CDensity (2)
1.335 g/cm³ @ Temp: 19.9 °C; Press: Atm pressure
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Yan, Biao; Journal of Chemical Thermodynamics, (2016), 99, 82-85, CAplus
Other Names and Identifiers
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
InChIKey
InChIKey=STMIIPIFODONDC-UHFFFAOYSA-N
SMILES
C(CN1C=NC=N1)(CCCC)(O)C2=C(Cl)C=C(Cl)C=C2
Canonical SMILES
ClC1=CC=C(C(Cl)=C1)C(O)(CN2N=CN=C2)CCCC
Other Names for this Substance
- 1H-1,2,4-Triazole-1-ethanol, α-butyl-α-(2,4-dichlorophenyl)-
- 1H-1,2,4-Triazole-1-ethanol, α-butyl-α-(2,4-dichlorophenyl)-, (±)-
- α-Butyl-α-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol
- R 154523
- PP 523
Deleted or Replaced CAS Registry Numbers
103556-63-4, 87677-54-1, 205862-67-5, 1135441-09-6
