tetrafluoro(13C)methane

• ChemBase ID: 135078
• Molecular Formular: CF4
• Molecular Mass: 88.99696764
• Monoisotopic Mass: 88.99696772
• SMILES: [13C](F)(F)(F)F
• Canonical SMILES: F[13C](F)(F)F
• InChI: InChI=1S/CF4/c2-1(3,4)5/i1+1
• InChIKey: TXEYQDLBPFQVAA-OUBTZVSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrafluoro(^1^3C)methane
• IUPAC Traditional name: tetrafluoro(^1^3C)methane
• Synonyms: Tetrafluoromethane-13C; Carbon-13C tetrafluoride; 四氟甲烷-13C; 四氟化碳-13C

Database IDs

• MDL Number: MFCD04118139
• PubChem SID: 162229353
• PubChem CID: 71309066

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.8462453
• LogD (pH = 7.4): 1.8462453
• Log P: 1.8462453
• Molar Refractivity: 2.3038 cm^3
• Polarizability: 2.8830187 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: M+1

Safety Information

• German water hazard class: 3
• GHS Pictograms: GHS04
• GHS Signal Word: Warning
• GHS Hazard statements: H280
• GHS Precautionary statements: P410 + P403

Product Information

• Isotopic Purity: 99 atom % 13C
• Linear Formula: 13CF4

DETAILS

Sigma Aldrich - 603414

Packaging
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.