Basic information
- CAS
66345-62-8- Standard SMILES
CC(C)(C)C(O)C(Cc1ccc(Cl)cc1Cl)n1cncn1- InChIKey
URDNHJIVMYZFRT-UHFFFAOYSA-N- Molecular formula
- C15H19Cl2N3O
- Average molar mass
- 328.2 g/mol
- Monoisotopic mass
- 327.0905176
Overview
Diclobutrazol is a conazole fungicide and a triazole fungicide.
Names & identifiers
- Preferred name
- Diclobutrazol
- IUPAC
- 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
- English name
- alpha-tert-butyl-beta-[(2,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-1-ethanol
- Molecular formula
- C15H19Cl2N3O
- Molecular weight
- 328.24
Names & synonyms
DICLOBUTRAZOL75736-33-31-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-olVigilexDicyclobutrazoleDTXSID2058178VIGIL, (DICLOBUTRAZOL)-RefChem:586844DTXCID301079162PP-2961 (2,4-dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol266-324-1
Show more names
Papaverine Impurity 13-d3alpha-tert-butyl-beta-[(2,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-1-ethanolβ-[(2,4-Dichlorophenyl)methyl]-α-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol1H-1,2,4-Triazole-1-ethanol, β-[(2,4-dichlorophenyl)methyl]-α-(1,1-dimethylethyl)-1H-1,2,4-Triazole-1-ethanol, beta-((2,4-dichlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-
G0E609666R66345-62-8DichlobutrazolVigilDiclobutrazol [BSI:ISO]PP296DiclobutrazoleEINECS 266-324-1
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 337
Experimental & physicochemical properties
Pesticides
Fungicides
Active substance -> EU Pesticides database: Not approved
Pesticide (Diclobutrazol) -> USDA PDB
LogP3.81
Physicochemical properties
- Boiling point
- 484.3 · 484.3±55.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 13.86 · 13.86±0.20(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: 1H-1,2,4-Triazole-1-ethanol, .beta.-[(2,4-dichlorophenyl)methyl]-.alpha.-(1,1-dimethylethyl)-
2002/2076
Other Safety Information
Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
IMAP assessments - 1H-1,2,4-Triazole-1-ethanol, .beta.-[(2,4-dichlorophenyl)methyl]-.alpha.-(1,1-dimethylethyl)-, (R*,R*)-(.+-.)-: Environment tier I assessment
Hazard Classes and Categories
Eye Irrit. 2 (100%)
Eye irritation - category 2
Eye Irrit. 2
Chemistry & industry
Additional notes
DefinitionChEBI: Diclobutrazol is a conazole fungicide and a triazole fungicide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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