(13C)methanidylidyne(18O)oxidanium

• ChemBase ID: 135162
• Molecular Formular: CO
• Molecular Mass: 31.00251584
• Monoisotopic Mass: 31.00251584
• SMILES: [13C-]#[18O+]
• Canonical SMILES: [13C-]#[18O+]
• InChI: InChI=1S/CO/c1-2/i1+1,2+2
• InChIKey: UGFAIRIUMAVXCW-RGIGPVFXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^3C)methanidylidyne(^1^8O)oxidanium
• IUPAC Traditional name: (^1^3C)methanidylidyne(^1^8O)oxidanium
• Synonyms: Carbon-13C monoxide-18O Gas; 一氧化碳-13C-18O 气体

Database IDs

• MDL Number: MFCD00083915
• PubChem SID: 24881945; 162229437
• PubChem CID: 16217551

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: -205 °C(lit.)
• Boiling Point: -191.5 °C(lit.)
• Mass Shift: M+3

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: 95 atom % 18O; 99 atom % 13C; 99 atom % 18O
• Mol. Weight: mol wt 31.00 by atom % calculation
• Linear Formula: 13C18O

DETAILS

Sigma Aldrich - 655007

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 - 607142

Packaging
500 mL 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.
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Stainless steel control valves Z146951 or Z187224