Benzo[d]oxazole-6-carbaldehyde

Base Information

• Chemical Name: Benzo[d]oxazole-6-carbaldehyde
• CAS No.: 865449-97-4
• Molecular Formula: C8H5NO2
• Molecular Weight: 147.13
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30606615
• Wikidata: Q82505426
• Mol file: 865449-97-4.mol

Synonyms:Benzo[d]oxazole-6-carbaldehyde;865449-97-4;1,3-Benzoxazole-6-carbaldehyde;MFCD11040758;6-Benzoxazolecarboxaldehyde;SCHEMBL3582670;benzo[d]oxazole-6-carboxaldehyde;DTXSID30606615;AKOS006239799;CS-W006738;AS-47012;SY114792;DB-095451;F11397

Chemical Property of Benzo[d]oxazole-6-carbaldehyde

Chemical Property:

• Vapor Pressure: 0.00657mmHg at 25°C
• Boiling Point: 271.1°C at 760 mmHg
• PKA: -0.32±0.30(Predicted)
• Flash Point: 117.8°C
• PSA: 43.10000
• Density: 1.322g/cm³
• LogP: 1.64030
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 147.032028402
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

97% ^*data from raw suppliers

Benzo[d]oxazole-6-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C=O)OC=N2