triphenyl(13C)methanol

• ChemBase ID: 138062
• Molecular Formular: C19H16O
• Molecular Mass: 261.32239484
• Monoisotopic Mass: 261.12346997
• SMILES: c1ccc(cc1)[13C](c1ccccc1)(c1ccccc1)O
• Canonical SMILES: O[13C](c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H16O/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H/i19+1
• InChIKey: LZTRCELOJRDYMQ-QHPTYGIKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triphenyl(^1^3C)methanol
• IUPAC Traditional name: triphenyl(^1^3C)methanol
• Synonyms: Triphenyl(methanol-13C); 三苯基(甲醇-13C)

Database IDs

• CAS Number: 3881-15-0
• MDL Number: MFCD00192546
• PubChem SID: 162232321; 24863647
• PubChem CID: 16212419

CALCULATED PROPERTIES

• Acid pKa: 12.736887
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.638378
• LogD (pH = 7.4): 4.638376
• Log P: 4.638378
• Molar Refractivity: 83.3115 cm^3
• Polarizability: 32.05915 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 163-165 °C(lit.)
• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 38
• Safety Statements: 22-24/25
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315

Product Information

• Isotopic Purity: 99 atom % 13C
• Linear Formula: (C6H5)313COH

DETAILS

Sigma Aldrich - 384089

Packaging
250 mg in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.