Tocofibrate

Base Information

• Chemical Name: Tocofibrate
• CAS No.: 50465-39-9
• Molecular Formula: C39H59 Cl O4
• Molecular Weight: 627.43
• UNII: 2W6ATR00KI
• DSSTox Substance ID: DTXSID501021595
• Nikkaji Number: J2.418.597D
• Wikidata: Q27255685
• NCI Thesaurus Code: C152673
• Mol file: 50465-39-9.mol

Synonyms:tocofibrate;tocopheryl 2-(p-chlorophenoxy)isobutyrate

Chemical Property of Tocofibrate

Chemical Property:

• Vapor Pressure: 7.48E-18mmHg at 25°C
• Refractive Index: 1.4429 (estimate)
• Boiling Point: 670.7°C at 760 mmHg
• Flash Point: 150.8°C
• PSA: 44.76000
• Density: 1.019g/cm³
• LogP: 11.55100
• XLogP3: 13.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 17
• Exact Mass: 626.4101881
• Heavy Atom Count: 44
• Complexity: 851

Purity/Quality:

99% ^*data from raw suppliers

TOCOFIBRATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)C(C)(C)OC3=CC=C(C=C3)Cl)C
• Isomeric SMILES: CC1=C(C(=C(C2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)OC(=O)C(C)(C)OC3=CC=C(C=C3)Cl)C

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