5-Bromo-benzooxazole-2-carbaldehyde

Base Information

• Chemical Name: 5-Bromo-benzooxazole-2-carbaldehyde
• CAS No.: 944907-38-4
• Molecular Formula: C8H4BrNO2
• Molecular Weight: 226.02686
• Hs Code.: 2934999090
• European Community (EC) Number: 874-767-2
• DSSTox Substance ID: DTXSID40696188
• Wikidata: Q82625688
• Mol file: 944907-38-4.mol

Synonyms:944907-38-4;5-BROMO-BENZOOXAZOLE-2-CARBALDEHYDE;5-BROMO-1,3-BENZOXAZOLE-2-CARBALDEHYDE;5-BROMOBENZO[D]OXAZOLE-2-CARBALDEHYDE;SCHEMBL23725571;DTXSID40696188;MFCD09027520;AB49173;5-bromobenzo[d]oxazole-2-carboxaldehyde;CS-0242854;FT-0731753;EN300-256138;Z1269206620

Chemical Property of 5-Bromo-benzooxazole-2-carbaldehyde

Chemical Property:

• Boiling Point: 337.8±34.0 °C(Predicted)
• PKA: -1.86±0.10(Predicted)
• PSA: 43.10000
• Density: 1.773±0.06 g/cm3(Predicted)
• LogP: 2.40280
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 224.94254
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

98%min ^*data from raw suppliers

5-Bromo-benzooxazole-2-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)N=C(O2)C=O