Diallate

Base Information

• Chemical Name: Diallate
• CAS No.: 17708-57-5
• Molecular Formula: C₁₀H₁₇Cl₂NOS
• Molecular Weight: 270.223
• European Community (EC) Number: 218-961-1
• UN Number: 2902,2992
• UNII: 0R9V496Q48
• DSSTox Substance ID: DTXSID8058326
• Nikkaji Number: J1.565.125C,J3.705B
• Wikidata: Q1208433
• ChEMBL ID: CHEMBL2252931

Synonyms:Avadex;di-allate;di-allate, (E)-isomer;di-allate, (Z)-isomer;diallate

Chemical Property of Diallate

Chemical Property:

• Boiling Point: 306°Cat760mmHg
• Flash Point: 138.9°C
• Density: 1.18g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 269.0407907
• Heavy Atom Count: 15
• Complexity: 234
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Chemical Classes: Pesticides -> Herbicides, Thiocarbamate,Thiocarbamate
• Canonical SMILES: CC(C)N(C(C)C)C(=O)SCC(=CCl)Cl
• Isomeric SMILES: CC(C)N(C(C)C)C(=O)SC/C(=C/Cl)/Cl

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