CAS 83657-22-1 Uniconazole (HCID 6436604)

Names & identifiers

Preferred name: Uniconazole
IUPAC: (E)-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

Uniconazole83657-22-1R4ATA06H501H-1,2,4-Triazole-1-ethanol, beta-((4-chlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-, (betaE)-RefChem:901125CHEBI:380001H-1,2,4-triazole-1-ethanol, beta-((4-chlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-beta-((4-chlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanolUniconazole [ISO](E)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol76714-83-5XE 1019D

Show more names

UNICONAZOLE-Ps3307(e)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ols07S-327s327dMajicm13144prunitS-3307

S 3307DMFCD01678674BRN 0662790(1E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol(E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol(E)-(RS)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-olFenpentezolSumagic

Database identifiers

CAS: 83657-22-1
PubChem CID: 6436604
DTXSID: DTXSID7032505
ChEMBL: CHEMBL138177
ChEBI: CHEBI:86428
UNII: R4ATA06H50
EC Number: 617-483-4
Nikkaji: J243.011H

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 50.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 346

Experimental & physicochemical properties

Kovats Retention Index2193；2175.4

Physicochemical properties

Melting point: 150 · 150-160°C
Boiling point: 474.6 · 474.6±55.0 °C(Predicted)
Density: 1.18 · 1.18±0.1 g/cm3(Predicted)
storage temp.: 0 · 0-6°C
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: 13.07 · 13.07±0.20(Predicted)
form: Solid
color: White to Off-White
Major Application: agricultureenvironmental
InChI: InChI=1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10,14,20H,1-3H3/b13-8+
InChIKey: YNWVFADWVLCOPU-JYRVWZFOSA-N
SMILES: C(/N1N=CN=C1)(\C(O)C(C)(C)C)=C\C1C=CC(=CC=1)Cl
CAS DataBase Reference: 83657 · 83657-22-1(CAS DataBase Reference)
FDA UNII: 4 ATA06H50 · R4ATA06H50
NIST Chemistry Reference: 1 H-1,2,4-triazole-1-ethanol, · 1H-1,2,4-triazole-1-ethanol, «beta»-((4-chlorophenyl)methylene)-«alpha»-(1,1-dimethylethyl)-,(e)-(.+/-.)-(83657-22-1)
Pesticides Freedom of Information Act (FOIA): Uniconazole
EPA Substance Registry System: Uniconazole (83657-22-1)
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501
Hazard Codes: Xn
Risk Statements: 22 · 22
WGK Germany: 3 · 3
HS Code: 29339900 · 29339900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk: 3
hs_code: 29339900
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
Storage Class: 11 - Combustible Solids
Hazard statements: H302
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P264-P270-P301+P312-P330-P501

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.

Applications · 2 items

DescriptionUniconazole is a plant growth regulator. It has a low water solubility, is quite volatile and there is also a slight risk of leaching to groundwater. It can be persistent in both soil and aquatic systems. It is moderately toxic to mammals but would not be expected to bioaccumulate. It shows a moderate level of toxicity to most aquatic species honeybees, earthworms and birds.

UsesUniconazole is a plant growth regulator, absorbed by the stems and roots. Uniconazole is used to reduce lodging in rice; to reduce vegetative growth and increase flowering of ornamentals; and to reduce vegetative growth and the need for pruning in trees. Uniconazole is an insecticide.

Upstream & downstream products

Upstream raw materials

Hydrazinium hydroxide solution 4-Chlorobenzaldehyde

Downstream products

UNICONAZOLE

Suppliers100 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

湖北金梭生物科技有限公司00123456789 · [email protected]

Additional notes · 1 item

DefinitionChEBI: (1E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol is a member of the class of triazoles that is 1,2,4-triazole which is substituted at position 1 by a 1-(p-chlorophenyl)-3-hydroxy-4,4-dimethylpent-1-en-2-yl group. It is a member of monochlorobenzenes, a secondary alcohol and a member of triazoles.