(12C)methanidylidyneoxidanium

• ChemBase ID: 135848
• Molecular Formular: CO
• Molecular Mass: 27.9994
• Monoisotopic Mass: 27.99491462
• SMILES: [12C-]#[O+]
• Canonical SMILES: [12C-]#[O+]
• InChI: InChI=1S/CO/c1-2/i1+0
• InChIKey: UGFAIRIUMAVXCW-IGMARMGPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^2C)methanidylidyneoxidanium
• IUPAC Traditional name: (^1^2C)methanidylidyneoxidanium
• Synonyms: Carbon-12C monoxide; 一氧化碳-12C

Database IDs

• EC Number: 211-128-3
• MDL Number: MFCD00198151
• PubChem SID: 162230119; 24866200
• PubChem CID: 16212711

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: depleted

Safety Information

• RTECS: FG3500000
• 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
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1016 2.3

Product Information

• Isotopic Purity: 99.95 atom % 12C; 99.99 atom % 12C
• Description: 13C-depleted
• Mol. Weight: mol wt 28.00 by atom % calculation
• Linear Formula: 12CO

DETAILS

Sigma Aldrich - 603422

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 - 418072

Packaging
10, 25 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.