Basic information
- CAS
83657-17-4- Standard SMILES
CC(C)(C)[C@H](O)/C(=C\c1ccc(Cl)cc1)n1cncn1- InChIKey
YNWVFADWVLCOPU-MAUPQMMJSA-N- Molecular formula
- C15H18ClN3O
- Average molar mass
- 291.77 g/mol
- Monoisotopic mass
- 291.1138399
Overview
Uniconazole P is a (1E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol that has S configuration at the chiral centre. It is the enantiomer of (R)-uniconazole; the fungicide and plant growth retardant uniconazole is the racemic mixture comprising (R)-uniconazole and uniconazole-P. It has a role as a plant growth retardant, an antifungal agrochemical and an EC 1.14.13.78 (ent-kaurene oxidase) inhibitor. It is a (1E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol, a conazole fungicide and a triazole fungicide. It is an enantiomer of a (R)-uniconazole.
Names & identifiers
- Preferred name
- Uniconazole P
- IUPAC
- (E,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
- English name
- UNICONAZOLE
- Molecular formula
- C15H18ClN3O
- Molecular weight
- 291.78
Names & synonyms
Uniconazole-PUniconazole PLomica83657-17-4(S)-UniconazoleSUMISEVEN P2T880R8S46DTXSID3035002CHEBI:81785(S)-S 33071H-1,2,4-Triazole-1-ethanol, beta-((4-chlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-, (alphaS,betaE)-RefChem:193133
Show more names
e-3-olSUMAGICSumagaicSUMISEVEN(s-(e))-ylethyl)Uniconazole-potassium
DTXCID1015002629-782-7Uniconazole-P [ISO](E,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol(1E,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-olS-3307D(S)-S3307UNII-2T880R8S46
Database identifiers
- CAS
83657-17-4- PubChem CID
- 6436639
- DTXSID
DTXSID3035002- ChEMBL
CHEMBL261837- ChEBI
CHEBI:81785- UNII
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Melting point
- 162 · 162~172℃
- Boiling point
- 474.6 · 474.6±55.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 13.07 · 13.07±0.20(Predicted)
- FDA UNII
- 2 T880R8S46 · 2T880R8S46
- EPA Substance Registry System
- Uniconazole-P (83657-17-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 51 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Regulatory Information
Uniconazole-P is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
1H-1,2,4-Triazole-1-ethanol, .beta.-((4-chlorophenyl)methylene)-.alpha.-(1,1-dimethylethyl)-, (S-(E))-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxicology
RAIS Toxicity Values
0.05
OPP
0.02
OPP
EPA Human Health Benchmarks for Pesticides
Uniconazole-P
0.05
1000
Females 13-49 yrs
0.02
100
Safety data
- Signal word
Chemistry & industry
Applications
UsesUniconazole-P is a plant growth retardant and a gibberellin biosynthesis inhibitor. Uniconazole-P can promote the formation of flower buds in some woody plants and influence the sex expression of cucumbers, increasing the female[1].
Upstream & downstream products
Upstream raw materials
Suppliers26 total
湖北万得化工有限公司15377098680 15377098680 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
台州川旭医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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