7-Nitroindoline

Base Information

• Chemical Name: 7-Nitroindoline
• CAS No.: 100820-43-7
• Molecular Formula: C8H8 N2 O2
• Molecular Weight: 164.16
• Hs Code.: 2933990090
• European Community (EC) Number: 895-867-2
• DSSTox Substance ID: DTXSID90543976
• Wikidata: Q82420949
• Mol file: 100820-43-7.mol

Synonyms:7-Nitroindoline;100820-43-7;7-NITRO-2,3-DIHYDRO-1H-INDOLE;1H-Indole, 2,3-dihydro-7-nitro-;MFCD07371622;SCHEMBL376278;DTXSID90543976;AKOS006285328;DS-7773;SB30081;SY108142;CS-0120145;EN300-118547;O11666

Chemical Property of 7-Nitroindoline

Chemical Property:

• Melting Point: 85-86 °C
• Boiling Point: 308.2±31.0 °C(Predicted)
• PKA: 0.82±0.20(Predicted)
• PSA: 57.85000
• Density: 1.298±0.06 g/cm3(Predicted)
• LogP: 2.22400
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 164.058577502
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

97% ^*data from raw suppliers

7-Nitroindoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC2=C1C=CC=C2[N+](=O)[O-]