2-Nitro-4-[(2,2,2-trifluoroethyl)sulfanyl]aniline

Base Information

• Chemical Name: 2-Nitro-4-[(2,2,2-trifluoroethyl)sulfanyl]aniline
• CAS No.: 54029-64-0
• Molecular Formula: C8H7F3N2O2S
• Molecular Weight: 252.21400
• DSSTox Substance ID: DTXSID30708840
• Wikidata: Q82643423

Synonyms:2-Nitro-4-[(2,2,2-trifluoroethyl)sulfanyl]aniline;54029-64-0;DTXSID30708840;2-Nitro-4-(2,2,2-trifluoroethylthio) aniline

Chemical Property of 2-Nitro-4-[(2,2,2-trifluoroethyl)sulfanyl]aniline

Chemical Property:

• Boiling Point: 332.4±42.0 °C(Predicted)
• PSA: 97.14000
• Density: 1.49±0.1 g/cm3(Predicted)
• LogP: 3.93580
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 252.01803313
• Heavy Atom Count: 16
• Complexity: 257

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1SCC(F)(F)F)[N+](=O)[O-])N

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