Benzoxazolium, 3-hexyl-2-methyl-, iodide

Base Information

• Chemical Name: Benzoxazolium, 3-hexyl-2-methyl-, iodide
• CAS No.: 54443-90-2
• Deprecated CAS: 1809512-12-6
• Molecular Formula: C14H20INO
• Molecular Weight: 345.2192
• European Community (EC) Number: 693-643-7
• DSSTox Substance ID: DTXSID80886102
• Mol file: 54443-90-2.mol

Synonyms:54443-90-2;Benzoxazolium, 3-hexyl-2-methyl-, iodide;1-Hexyl-2-methylbenzoxazolium iodide;Benzoxazolium, 3-hexyl-2-methyl-, iodide (1:1);3-hexyl-2-methyl-1,3-benzoxazol-3-ium;iodide;3-hexyl-2-methyl-1,3-benzoxazol-3-ium iodide;C14H20NO.I;DTXSID80886102;3-hexyl-2-methyl benzoxazolium iodide

Chemical Property of Benzoxazolium, 3-hexyl-2-methyl-, iodide

Chemical Property:

• Melting Point: 90-94?°C(lit.)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 18.07000
• Density: g/cm³
• LogP: 1.40810
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 345.05896
• Heavy Atom Count: 17
• Complexity: 207

Purity/Quality:

99.3% ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC[N+]1=C(OC2=CC=CC=C21)C.[I-]

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