Basic information
- CAS
70217-36-6- Standard SMILES
CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1Cl)n1cncn1- InChIKey
FBOUIAKEJMZPQG-UHFFFAOYSA-N- Molecular formula
- C15H17Cl2N3O
- Average molar mass
- 326.2 g/mol
- Monoisotopic mass
- 325.07486752
Overview
Diniconazole is a conazole fungicide used to control a range of diseases including mildew, bunts and smuts systemically with curative and protective action. It also inhibits the demethylation of steroids distrupting ergosterol biosynthesis.
Names & identifiers
- Preferred name
- Diclopentezol
- IUPAC
- 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
- English name
- diniconazole
- Molecular formula
- C15H17Cl2N3O
- Molecular weight
- 326.22
Names & synonyms
Diclopentezol1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-olC15H17Cl2N3ORac-diniconazole76714-88-01H-1,2,4-Triazole-1-ethanol,b-[(2,4-dichlorophenyl)methylene]-a-(1,1-dimethylethyl)-, (E)-SCHEMBL21286SCHEMBL23066866DTXSID10273920FBOUIAKEJMZPQG-UHFFFAOYSA-NAKOS0302286191H-1,2,4-Triazole-1-ethanol, .beta.-[(2,4-dichlorophenyl)methylene]-.alpha.-(1,1-dimethylethyl)-, (.beta.E)-
Show more names
Ene listed(EZ)-DiniconazoleDiniconazole (Z/E isomers)α-tert-butyl-β-(2,4-dichlorophenylmethylene)-1h-1,2,4-triazole-1-ethanol1H-1,2,4-Triazole-1-ethanol, β-[(2,4-dichlorophenyl)methylene]-α-(1,1-dimethylethyl)-Diclopentezol, α-tert-Butyl-β-(2,4-dichlorophenylmethylene)-1H-1,2,4-triazole-1-ethanol1H-1,2,4-Triazole-1-ethanol, beta-((2,4-dichlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-
1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)-4,4-dimethyl-1-penten-3-ol1H-1,2,4-Triazole-1-ethanol, ss-[(2,4-dichlorophenyl)methylene]-a-(1,1-dimethylethyl)-; ss-[(2,4-Dichlorophenyl)methylene]-a-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol; Diclopentezol; 1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol; (EZ)-Diniconazole
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 384
Physicochemical properties
- Boiling point
- 501.1 · 501.1±60.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- Flash point
- 150 °C · 150 °C
- pka
- 13.46 · 13.46±0.20(Predicted)
- BRN
- 9202976 · 9202976
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H410
- Precautionary statements
- 264 · P264-P270-P273-P301+P312-P391-P501
- Hazard Codes
- Xn,N
- Risk Statements
- 22 · 22-50/53
- Safety Statements
- 60 · 60-61
- RIDADR
- 3077 · UN 3077 9 / PGIII
- WGK Germany
- 3 · 3
- RTECS
- 4803550 · XZ4803550
Safety & regulation
GHS classification
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Hazard information
Hazard Classes and CategoriesAcute toxicity - category 4
Toxicology
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Safety data
- wgk
- 3
- rtecs
- XZ4803550
- ridadr
- UN 3077 9 / PGIII
- risk_code
- 22-50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xn,N
- safety_code
- 60-61
- Hazard statements
- H302-H410
- Precautionary statements
- P264-P270-P273-P301+P312-P391-P501
Chemistry & industry
Uses & manufacturing
UsesThis is a man-made compound that is used as a pesticide.
Applications
UsesDiniconazole is a pesticide used in water, soil and river sediment.
Suppliers25 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海毕合生物化学技术有限公司13816464724 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕楷科技有限公司18516304666
北京泰亚杰科技有限公司021-33690831-8001 13552411790;18616022633 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
Yangzhou Model Electronic Materials Co., Ltd.+8613761402923 · [email protected]
郑州鸿晟医药科技有限公司0371-0371-13526885213 15637198702 · [email protected]
武汉贝乐叶生物医药科技有限公司
Related reactions
12 records
Compound notes
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