1H-Isoindole-1,3(2H)-bis(iminium)

Base Information

• Chemical Name: 1H-Isoindole-1,3(2H)-bis(iminium)
• CAS No.: 57500-34-2
• Molecular Formula: C8H7N3
• Molecular Weight: 145.16
• DSSTox Substance ID: DTXSID40973042
• Mol file: 57500-34-2.mol

Synonyms:DTXSID40973042;1H-Isoindole-1,3(2H)-bis(iminium)

Chemical Property of 1H-Isoindole-1,3(2H)-bis(iminium)

Chemical Property:

• Appearance/Colour: powder
• Vapor Pressure: 0.00112mmHg at 25°C
• Melting Point: ~197 °C (dec.)(lit.)
• Boiling Point: 300.5 °C at 760 mmHg
• PKA: 6.83±0.20(Predicted)
• Flash Point: 135.5 °C
• PSA: 59.73000
• Density: 1.41 g/cm³
• LogP: 1.46880
• Solubility.: soluble in Methanol
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 147.079647300
• Heavy Atom Count: 11
• Complexity: 197

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,3-Diiminoisoindoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=[NH+]C2=[NH2+])N