1-(3-Isocyanatophenyl)-1H-pyrrole

Base Information

• Chemical Name: 1-(3-Isocyanatophenyl)-1H-pyrrole
• CAS No.: 857283-59-1
• Molecular Formula: C₁₁H₈N₂O
• Molecular Weight: 184.197
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID90428158
• Mol file: 857283-59-1.mol

Synonyms:1-(3-Isocyanatophenyl)-1H-pyrrole;857283-59-1;1-(3-isocyanatophenyl)pyrrole;1H-Pyrrole,1-(3-isocyanatophenyl)-;3-(1H-Pyrrol-1-yl)phenyl isocyanate;SCHEMBL1022297;DTXSID90428158;PUPFPJGLDBUOOI-UHFFFAOYSA-N;MFCD07772799;AKOS006223407;MS-22397;FT-0756068;1-(3-Isocyanatophenyl)-1H-pyrrole, AldrichCPR;J-503151

Chemical Property of 1-(3-Isocyanatophenyl)-1H-pyrrole

Chemical Property:

• Vapor Pressure: 0.000627mmHg at 25°C
• Melting Point: 46 °C
• Refractive Index: 1.592
• Boiling Point: 309.7 °C at 760 mmHg
• PKA: -5.63±0.70(Predicted)
• Flash Point: 141.1 °C
• PSA: 34.36000
• Density: 1.11 g/cm³
• LogP: 2.44460
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 184.063662883
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

98%min ^*data from raw suppliers

1-(3-isocyanatophenyl)-1H-pyrrole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C=C1)C2=CC=CC(=C2)N=C=O