2,6-Dichlorobenzonitrile

Base Information

• Chemical Name: 2,6-Dichlorobenzonitrile
• CAS No.: 104809-79-2
• Molecular Formula: C7H3 Cl2 N
• Molecular Weight: 172.0114
• European Community (EC) Number: 214-787-5
• ICSC Number: 0867
• NSC Number: 521490
• UN Number: 3082,2769
• UNII: N42NR4196R
• DSSTox Substance ID: DTXSID5032365
• Nikkaji Number: J3.365K
• Wikipedia: 2,6-Dichlorobenzonitrile
• Wikidata: Q416231
• Metabolomics Workbench ID: 49971
• ChEMBL ID: CHEMBL3039332

Synonyms:2,6-dichlorobenzonitrile;dichlobanil;dichlobenil

Chemical Property of 2,6-Dichlorobenzonitrile

Chemical Property:

• Boiling Point: 279.2°Cat760mmHg
• Flash Point: 126.8°C
• Density: 1.4g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 170.9642545
• Heavy Atom Count: 10
• Complexity: 150
• Transport DOT Label: Class 9

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Herbicides, Nitrile
• Canonical SMILES: C1=CC(=C(C(=C1)Cl)C#N)Cl
• Inhalation Risk: A harmful concentration of airborne particles can be reached quickly when dispersed.
• Effects of Long Term Exposure: The substance may have effects on the skin. This may result in chloracne.

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