UNICONAZOLE
- Iupac Name：(E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
- CAS No.: 76714-83-5
- Molecular Weight：291.77592
- Modify Date.: 2022-11-05 21:38
1. Names and Identifiers
- 1.1 Name
- UNICONAZOLE
- 1.2 Synonyms
(E)-(S)-1-(4-CHLOROPHENYL)-4,4-DIMETHYL-2-(1H-1,2,4-TRIAZOL-1-YL)-PENT-1-EN-3-OL LOMICA Prunit(Valent) SUMAGIC SUMAGIC(R) SUMISEVEN UNICONAZOLE-P UNICONIZOLE-P
- 1.3 CAS No.
- 76714-83-5
- 1.4 CID
- 6436604
- 1.5 Molecular Formula
- C15H18ClN3O (isomer)
- 1.6 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+
- 1.7 InChkey
- YNWVFADWVLCOPU-MDWZMJQESA-N
- 1.8 Canonical Smiles
- CC(C)(C)C(C(=CC1=CC=C(C=C1)Cl)N2C=NC=N2)O
- 1.9 Isomers Smiles
- CC(C)(C)C(/C(=C\C1=CC=C(C=C1)Cl)/N2C=NC=N2)O
2. Properties
- 2.1 Melting point
- 153.0 °C
- 2.1 Precise Quality
- 291.11400
- 2.1 PSA
- 50.94000
- 2.1 logP
- 3.33660
3. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
5. Computational chemical data
- Molecular Weight: 291.77592g/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==
6. Recommended Suppliers
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- Products:building blocks, synthetic intermediates, custom synthesis
- Tel:1-631-4854226
Uniconazole
- Purity:99%Packing: 200kg/bag FOB
- Price: Inquiry USD/gram
- Time: 2016/03/29
Inquire
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- Tel:+86-571-87110718/87110717
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7. Realated Product Infomation
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