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Home> Encyclopedia >Fungicide>Acaricide>Pharmaceutical Intermediates
Uniconazole structure
Uniconazole structure

Uniconazole

Iupac Name:(E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
CAS No.: 83657-22-1
Molecular Weight:291.779
Modify Date.: 2022-11-25 02:17
Introduction: Uniconazole 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. View more+
1. Names and Identifiers
1.1 Name
Uniconazole
1.2 Synonyms

(1E)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-ol (1E)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol (1E)-1-(4-Chlorphenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol (e)-(+-)-ylethyl) (E)-(RS)-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)-1-penten-3-ol (E)-b-[(4-Chlorophenyl)methylene]-a-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol (ΒE)-Β-[(4-chlorophenyl)methylene]-α-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol 1H-1,2,4-Triazole-1-ethanol, Β-((4-chlorophenyl)methylene)-α-(1,1-dimethylethyl)-, (ΒE)- 1H-1,2,4-Triazole-1-ethanol, Β-[(4-chlorophenyl)methylene]-α-(1,1-dimethylethyl)-, (ΒE)- beta-((4-chlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-(e)-(+-)-1h-4-triazole-1-ethanol m13144 Majic MFCD01678674 Prunit rac-(1E,3R)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol s07 S-327 s327d s3307 s3307d SUMAGIC SUMISEVEN UNICONAZOLE, CERTIFIED REFERENCE MATERIAL UNICONAZOLE-P UNII:R4ATA06H50 xe1019

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1.3 CAS No.
83657-22-1
1.4 CID
6436604
1.5 EINECS(EC#)
617-483-4
1.6 Molecular Formula
C15H18ClN3O (isomer)
1.7 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+
1.8 InChIkey
YNWVFADWVLCOPU-MDWZMJQESA-N
1.9 Canonical Smiles
CC(C)(C)C(C(=CC1=CC=C(C=C1)Cl)N2C=NC=N2)O
1.10 Isomers Smiles
CC(C)(C)C(/C(=C\C1=CC=C(C=C1)Cl)/N2C=NC=N2)O
2. Properties
2.1 Density
1.18
2.1 Melting point
153 deg C
2.1 Boiling point
474.6 °C at 760 mmHg
2.1 Refractive index
1.579
2.1 Flash Point
240.8 °C
2.1 Precise Quality
291.11400
2.1 PSA
50.94000
2.1 logP
3.33660
2.1 Appearance
White-light brown crystalline
2.2 Storage
0-6°C
2.3 Chemical Properties
Off-White to Light Tan Solid
2.4 pKa
13.07±0.20(Predicted)
2.5 Water Solubility
Solubility variable in range of organic solvents.
2.6 StorageTemp
0-6°C
3. Use and Manufacturing
3.1 Usage
Uniconazole 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.
4. Safety and Handling
4.1 Symbol
GHS07
4.1 Hazard Codes
Xn
4.1 Signal Word
Warning
4.1 Risk Statements
22
4.1 Safety Statements
22
4.1 Hazard Declaration
H302
4.1 RIDADR
NONH for all modes of transport
4.1 Caution Statement
P264, P270, P301+P312, P330, P501
4.1 WGK Germany
3
4.1 Safety

Moderately toxic by ingestion and skin contact. When heated to decomposition it emits toxic vapors of NOx and Cl.

4.2 Specification

 Uniconazole (CAS NO.83657-22-1) is also named as 5-26-01-00166 (Beilstein Handbook Reference) ; BRN 0662790 ; EPA Pesticide Chemical Code 128976 ; S 3307D ; Uniconazole-P ; XE 1019D ; XE-1019D Technical ; 1H-1,2,4-Triazole-1-ethanol, beta-((4-chlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-, (E)-(+-)- ; 1H-1,2,4-Triazole-1-ethanol, beta-((4-
chlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-, (betaE)- .

4.3 Toxicity
Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1790mg/kg (1790mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C317, 1991.
rat LD50 skin > 2gm/kg (2000mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C317, 1991.
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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

9. Other Information
9.0 Target
Value
9.1 ABA 8′-hydroxylase (Cell-free assay)
10 nM(Ki)
9.2 CYP735A1 (Cell-free assay)
22 μM(Ki)
9.3 Chemical Properties
Off-White to Light Tan Solid
9.4 Uses
Uniconazole 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 reduc e vegetative growth and the need for pruning in trees. Uniconazole is an insecticide.
9.5 General Description
Uniconazole is a triazole compound which have plant growth regulating and fungitoxic properties. It protects plants from temperature fluctuations, drought and air pollutants.
9.6 Mesh
Chemicals that kill or inhibit the growth of fungi in agricultural applications, on wood, plastics, or other materials, in swimming pools, etc. (See all compounds classified as Fungicides, Industrial.)
9.7 Mesh Entry Terms
beta-((4-chlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol
9.8 Use Classification
Agrochemicals -> Plant Growth Regulators
10. Computational chemical data
  • Molecular Weight: 291.779g/mol
  • Molecular Formula: C15H18ClN3O
  • Compound Is Canonicalized: True
  • XLogP3-AA: 3.6
  • Exact Mass: 291.1138399
  • Monoisotopic Mass: 291.1138399
  • Complexity: 346
  • Rotatable Bond Count: 4
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Topological Polar Surface Area: 50.9
  • Heavy Atom Count: 20
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 1
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADceBzIAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgIICAAADh6hmCY3EIYIEgCiAiRDZAASAAswh4AdyAAIAoiKPCKBmxCEcAAogAIYmAcAgAAPBAAAAAAAAAAIAAAAAAAAAAAAAAAAAA==
11. Question & Answer
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