4-Nitro-2-(trifluoromethyl)phenyl dimethyl phosphorothioate

Base Information

• Chemical Name: 4-Nitro-2-(trifluoromethyl)phenyl dimethyl phosphorothioate
• CAS No.: 50589-98-5
• Molecular Formula: C9H9F3NO5PS
• Molecular Weight: 331.2054
• DSSTox Substance ID: DTXSID80198616
• Wikidata: Q83071428

Synonyms:4-Nitro-2-(trifluoromethyl)phenyl dimethyl phosphorothioate;Phosphorothioic acid, O,O-dimethyl O-(4-nitro-2-(trifluoromethyl)phenyl)ester;50589-98-5;DTXSID80198616;LS-108874

Chemical Property of 4-Nitro-2-(trifluoromethyl)phenyl dimethyl phosphorothioate

Chemical Property:

• Vapor Pressure: 0.000229mmHg at 25°C
• Boiling Point: 335.7°Cat760mmHg
• Flash Point: 156.8°C
• Density: 1.505g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 330.98911505
• Heavy Atom Count: 20
• Complexity: 394

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COP(=S)(OC)OC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F

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