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Cyproconazole

CAT: 0804-HY-A0277-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-A0277-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cyproconazole is a triazole fungicide used to protect crops, fruits and vegetables against a wide range of fungal pathogens. Cyproconazole can cause hepatocellular adenomas and carcinomas in CD-1 mice. Cyproconazole also exhibits low toxicity to zebrafish embryos and affects locomotor activity[1][2].
CAS Number
94361-06-5
UNSPSC
12352005
Hazard Statement
H301, H360
Target
Fungal
Type
Reference compound
Related Pathways
Anti-infection
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/Cyproconazole.html
Purity
98.72
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
ClC1=CC=C(C(C(C)C2CC2)(O)CN3N=CN=C3)C=C1
Molecular Formula
C15H18ClN3O
Molecular Weight
291.78
Precautions
H301, H360
References & Citations
[2]Cao, F., et al., (2019) . Developmental toxicity of the triazole fungicide cyproconazole in embryo-larval stages of zebrafish (Danio rerio) . Environmental science and pollution research international, 26 (5), 4913–4923.|[1]Peffer, R. C., et al., (2007) . Mouse liver effects of cyproconazole, a triazole fungicide: role of the constitutive androstane receptor. Toxicological sciences: an official journal of the Society of Toxicology, 99 (1), 315–325.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Cyproconazole

2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol is a tertiary alcohol that is butan-2-ol substituted by a 4-chlorophenyl group at position 2, a cyclopropyl group at position 3 and a 1H-1,2,4-triazol-1-yl group at position 1. It is a tertiary alcohol, a member of triazoles, a member of cyclopropanes and a member of monochlorobenzenes.

CAS Number94361-06-5
PubChem CID86132
IUPAC Name2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol
Molecular FormulaC15H18ClN3O
Molecular Weight291.77
XLogP2.9
Topological Polar Surface Area50.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity331
SMILES
CC(C1CC1)C(CN2C=NC=N2)(C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3
InChIKey
UFNOUKDBUJZYDE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyproconazole
CAS: 94361-06-5
CID: 86132
Formula: C15H18ClN3O
MW: 291.77
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.77
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass291.1138399
Monoisotopic Mass291.1138399
Topological Polar Surface Area50.9 Ų
Heavy Atom Count20
Formal Charge0
Complexity331
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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