(13C)methanidylidyneoxidanium

• ChemBase ID: 138907
• Molecular Formular: CO
• Molecular Mass: 29.00275484
• Monoisotopic Mass: 28.99826946
• SMILES: [13C-]#[O+]
• Canonical SMILES: [13C-]#[O+]
• InChI: InChI=1S/CO/c1-2/i1+1
• InChIKey: UGFAIRIUMAVXCW-OUBTZVSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^3C)methanidylidyneoxidanium
• IUPAC Traditional name: (^1^3C)methanidylidyneoxidanium
• Synonyms: Carbon-13C monoxide; 一氧化碳-13C

Database IDs

• CAS Number: 1641-69-6
• MDL Number: MFCD00064502
• PubChem SID: 162233158; 24864235
• PubChem CID: 9793682

CALCULATED PROPERTIES

• Acid pKa: 15.189176
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -3.9616656
• LogD (pH = 7.4): -3.9616656
• Log P: -3.9616656
• Molar Refractivity: 26.2298 cm^3
• Polarizability: 2.2798557 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -207 °C(lit.)
• Density: 1.25 g/mL at 25 °C(lit.)
• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Highly flammable (F+); Toxic (T)
• UN Number: 1016
• German water hazard class: 1
• Hazard Class: 2.3
• Risk Statements: 61-12-23-48/23
• Safety Statements: 53-45
• GHS Pictograms: GHS02; GHS04; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H220-H280-H331-H360D-H372
• GHS Precautionary statements: P201-P210-P261-P311-P410 + P403
• RID/ADR: UN 1016 2.3

Product Information

• Isotopic Purity: <5 atom % 18O; 99 atom % 13C
• Mol. Weight: mol wt 28.99 by atom % calculation
• Linear Formula: 13CO

DETAILS

Sigma Aldrich - 388505

Packaging
1 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.
Application
Important basic building block for 13C labeled compounds. Also employed in astrophysical science and radiation chemistry.1,2
Recommended products
Stainless steel control valves Z146951, Z187224 or either of stainless steel regulators Z148504 and Z148512 is recommended.