Penconazole
Basic information
- CAS
66246-88-6- Standard SMILES
CCCC(Cn1cncn1)c1ccc(Cl)cc1Cl- InChIKey
WKBPZYKAUNRMKP-UHFFFAOYSA-N- Molecular formula
- C13H15Cl2N3
- Average molar mass
- 284.18 g/mol
- Monoisotopic mass
- 283.0643029
Overview
1-[2-(2,4-dichlorophenyl)pentyl]1,2,4-triazole is a member of the classof triazoles that is 1,2,4-triazole substituted at position 1 by a 2-(2,4-dichlorophenyl)pentyl group. It is a dichlorobenzene and a member of triazoles.
Names & identifiers
- Preferred name
- Penconazole
- IUPAC
- 1-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole
- English name
- Penconazole
- Molecular formula
- C13H15Cl2N3
- Molecular weight
- 284.18
Names & synonyms
Penconazole66246-88-6TopazetopasOnmexAward1-(2-(2,4-Dichlorophenyl)pentyl)-1H-1,2,4-triazoleDTXSID80422601H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)pentyl]-3UN9F9ZJ43CGA-718181-[2-(2,4-Dichlorophenyl)pentyl]-1H-1,2,4-triazole
Show more names
PENCONAZOLPine gelOfirOmnextopasctopasmztopazec
1H-1,2,4-Triazole, 1-(2-(2,4-dichlorophenyl)pentyl)-DTXCID6022260Gold TopazGold Topaz 8121RefChem:56368CHEBI:819701-(2,4-dichloro-beta-propylphenethyl)-1H-1,2,4-triazole266-275-6
Database identifiers
- CAS
66246-88-6- PubChem CID
- 91693
- DTXSID
DTXSID8042260- ChEMBL
CHEMBL481474- ChEBI
CHEBI:83993- UNII
- 3UN9F9ZJ43
- EC Number
- 266-275-6
- Nikkaji
- J243.083E
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 252
Experimental & physicochemical properties
Pesticides
Agrochemicals -> Pesticide active substances
Active substance -> EU Pesticides database: Approved
Environmental transformation -> Pesticides (parent, predecessor)
Fungicides
Pesticide (Penconazole) -> USDA PDB
LogP3.72
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section166.3 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID8042260]
Physicochemical properties
- Melting point
- 58.5 °C · 58.5 °C
- Boiling point
- 436.06 °C · 436.06°C (rough estimate)
- Density
- 1.2556 · 1.2556 (rough estimate)
- vapor pressure
- 3.7 x · 3.7 x l0-4 Pa (25 °C)
- refractive index
- 1.63 · 1.6300 (estimate)
- Flash point
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
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for 2.3% (4 of 172) of reports.
Warning
H302 (97.1%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Regulatory Information
Commission Regulation (EC) No 1490/2002
2009/77/EC, 2010/34/EU, Reg. (EU) 2021/1449, Reg. (EU) 2022/1480, Reg. (EU) 2023/2592, Reg. (EU) 2026/1826, Reg. (EU) No 540/2011
Penconazole: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)pentyl]-: Human health tier I assessment
Hazard Classes and Categories
Acute Tox. 4 (97.1%)
Reproductive toxicity - category 2
Repr. 2
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 2
- rtecs
- XZ4615000
- ridadr
- UN 3077 9 / PGIII
- hs_code
- 29339900
- Toxicity
- LD50 skn-rat: >3 g/kg DOVEAA 38,195,84
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08,GHS09
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationChemicals that kill or inhibit the growth of fungi in agricultural applications, on wood, plastics, or other materials, in swimming pools, etc.
Uses & manufacturing
Use Classification
Environmental transformation -> Pesticides (parent, predecessor)
Fungicides
Applications
UsesPenconazole is used for the control of powdery mildew, pome fruit scab and other pathogenic Ascomycetes, Basidiomycetes and Deuteromycetes on vines, cucurbits, pome fruit, stone fruit, ornamentals, hops, tobacco and vegetables.
UsesPenconazole is an conazole based fungicide that works by inhibiting cell membrane ergosterol biosynthesis, thus stopping the development of fungi.
Additional notes
DefinitionChEBI: 1-[2-(2,4-dichlorophenyl)pentyl]1,2,4-triazole is a member of the classof triazoles that is 1,2,4-triazole substituted at position 1 by a 2-(2,4-dichlorophenyl)pentyl group. It is a dichlorobenzene and a member of triazoles.
Related reactions
2 records
Compound notes
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