Diniconazole-M

Base Information

• Chemical Name: Diniconazole-M
• CAS No.: 83657-18-5
• Molecular Formula: C15H17 Cl2 N3 O
• Molecular Weight: 326.25
• Hs Code.: 3808999000
• UNII: O8QD971Z1G
• DSSTox Substance ID: DTXSID2034548
• Wikidata: Q27157326
• NCI Thesaurus Code: C98016
• Metabolomics Workbench ID: 143668
• ChEMBL ID: CHEMBL1870418
• Mol file: 83657-18-5.mol

Synonyms:1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol;diniconazole;S 3308;S-3308L

Chemical Property of Diniconazole-M

Chemical Property:

• Vapor Pressure: 7.35E-11mmHg at 25°C
• Melting Point: 160-161°
• Refractive Index: 1.5490 (estimate)
• Boiling Point: 501.1oC at 760 mmHg
• Flash Point: 256.8oC
• PSA: 50.94000
• Density: 1.27g/cm3
• LogP: 3.99000
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 325.0748676
• Heavy Atom Count: 21
• Complexity: 384

Purity/Quality:

99% ^*data from raw suppliers

DINICONAZOLE M 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T:Toxic

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(C(=CC1=C(C=C(C=C1)Cl)Cl)N2C=NC=N2)O
• Isomeric SMILES: CC(C)(C)[C@H](/C(=C\C1=C(C=C(C=C1)Cl)Cl)/N2C=NC=N2)O