3-(Trifluoromethyl)-3-[m(formamide)phenyl]diazirine

Base Information

• Chemical Name: 3-(Trifluoromethyl)-3-[m(formamide)phenyl]diazirine
• CAS No.: 79684-40-5
• Molecular Formula: C9H6F3N3O
• Molecular Weight: 229.1586496
• DSSTox Substance ID: DTXSID50565093
• Mol file: 79684-40-5.mol

Synonyms:3-(Trifluoromethyl)-3-[m(formamide)phenyl]diazirine;79684-40-5;N-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]formamide;DTXSID50565093;3-trifluoromethyl-3-(m-formylaminophenyl)diazirine;EN300-12007844;N-formyl m-[3-(trifluoromethyl)diazirine-3-yl]aniline;N-{3-[3-(Trifluoromethyl)-3H-diaziren-3-yl]phenyl}formamide;N-{3-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl}formamide

Chemical Property of 3-(Trifluoromethyl)-3-[m(formamide)phenyl]diazirine

Chemical Property:

• PSA: 57.31000
• LogP: 1.95650
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 229.04629631
• Heavy Atom Count: 16
• Complexity: 310

Purity/Quality:

97% ^*data from raw suppliers

3-(Trifluoromethyl)-3-[m(formamide)phenyl]diazirine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)NC=O)C2(N=N2)C(F)(F)F
• Uses: An intermediate in the synthesis of a new photoactivatable probe, 3-(trifluoromethyl-3-(m-[125I]iodophenyl)diazirine ([125I]TID), with a high seed radioactivity (10 Ci/mmol), a carbene-generating reagent.

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