(12C)methanedione

• ChemBase ID: 135886
• Molecular Formular: CO2
• Molecular Mass: 43.9988
• Monoisotopic Mass: 43.98982924
• SMILES: [12C](=O)=O
• Canonical SMILES: O=[12C]=O
• InChI: InChI=1S/CO2/c2-1-3/i1+0
• InChIKey: CURLTUGMZLYLDI-IGMARMGPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^2C)methanedione
• IUPAC Traditional name: (^1^2C)methanedione
• Synonyms: Carbon-12C dioxide; 二氧化碳-12C

Database IDs

• CAS Number: 124-38-9
• EC Number: 204-696-9
• MDL Number: MFCD00198158
• PubChem SID: 24866441; 162230157
• PubChem CID: 10129881

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: -78.5 °C (subl.)(lit.)
• Vapor Density: 1.52 (vs air)
• Mass Shift: depleted

Safety Information

• RTECS: FF6400000
• 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: 99.9 atom % 12C; 99.99 atom % 12C
• Description: 13C-depleted
• Linear Formula: 12CO2

DETAILS

Sigma Aldrich - 422606

Packaging
10 L in steel cylinder
Lecture bottle with brass CGA 110/180 valve
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.
Recommended products
Stainless steel control valves Z146951, Z187224 or either of stainless steel regulators Z148504 and Z148512 is recommended.

Sigma Aldrich - 600199

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.