• ChemBase ID: 134878
• Molecular Formular: CO2
• Molecular Mass: 48.009022
• Monoisotopic Mass: 47.998322
• SMILES: C(=[18O])=[18O]
• Canonical SMILES: [18O]=C=[18O]
• InChI: InChI=1S/CO2/c2-1-3/i2+2,3+2
• InChIKey: CURLTUGMZLYLDI-FTOQCNSHSA-N

NAMES AND DATABASE IDS

Names

• Synonyms: Carbon dioxide-18O2; 二氧化碳-18O2

Database IDs

• EC Number: 204-696-9
• MDL Number: MFCD00083859
• PubChem SID: 162229154
• PubChem CID: 12130228

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.2789571
• LogD (pH = 7.4): -0.2789571
• Log P: -0.2789571
• Molar Refractivity: 6.3844 cm^3
• Polarizability: 2.6601136 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -78 °C (subl.)(lit.)
• Mass Shift: M+4

Safety Information

• UN Number: 1013
• German water hazard class: nwg
• Hazard Class: 2.2
• GHS Pictograms: GHS04
• GHS Signal Word: Warning
• GHS Hazard statements: H280
• GHS Precautionary statements: P410 + P403
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1013 2.2

Product Information

• Isotopic Purity: 50 atom % 18O; 85 atom % 18O; 95 atom % 18O; 97 atom % 18O
• Linear Formula: C18O2

DETAILS

Sigma Aldrich - 588601

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.

Sigma Aldrich - 609722

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.

Sigma Aldrich - 609692

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.

Sigma Aldrich - 609714

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.