methanidylidyneoxidanium

• ChemBase ID: 126408
• Molecular Formular: CO
• Molecular Mass: 28.0101
• Monoisotopic Mass: 27.99491462
• SMILES: [C-]#[O+]
• Canonical SMILES: [C-]#[O+]
• InChI: InChI=1S/CO/c1-2
• InChIKey: UGFAIRIUMAVXCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methanidylidyneoxidanium
• IUPAC Traditional name: carbon monoxide
• Synonyms: Carbon monoxide; Carbon monooxide; Carbonous oxide; Carbon(II) oxide; Carbonyl; Carbon monoxide; 一氧化碳

Database IDs

• CAS Number: 630-08-0
• EC Number: 211-128-3
• MDL Number: MFCD00011320
• Beilstein Number: 3587264
• PubChem SID: 24857760; 24881997; 162220742
• PubChem CID: 281
• CHEBI ID: 17245
• Chemspider ID: 275
• Gmelin ID: 421
• KEGG ID: D09706
• MeSH Name: Carbon+monoxide
• Unique Ingredient Identifier: 7U1EE4V452
• Wikipedia Title: Carbon_monoxide

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

• Solubility: 27.6 mg/1 L (25 °C) in water; soluble in chloroform, acetic acid, ethyl acetate, ethanol, ammonium hydroxide, benzene
• Apperance: colourless gas
• Melting Point: -205 °C(lit.); -205.02°C
• Boiling Point: -191.5 °C(lit.); -191.5°C
• Flash Point: -191°C (82.15K, -311.8°F)
• Auto Ignition Point: 1128 °F; 609°C (882.15K, 1128.2°F)
• Density: 789 kg/m^3, liquid; 1.250 kg/m^3 at 0 °C, 1 atm; 1.145 kg/m^3 at 25 °C, 1 atm
• Refractive Index: 1.0003364
• Vapor Density: 0.97 (vs air)
• Dipole Moment: 0.122 D
• Odor: odorless
• Std enthalpy of formation: -110.5 kJ·mol^-1
• Std molar entropy: 198 J·mol^-1·K^-1

Safety Information

• RTECS: FG3500000
• European Hazard Symbols: Flammable (F); Highly flammable (F+); Toxic (T)
• UN Number: 1016
• German water hazard class: 1
• Hazard Class: 2.3
• Risk Statements: 61-12-23-48/23; R61 R12 R26 R48/23
• Safety Statements: 53-45; S53 S45
• EU Index: 006-001-00-2
• GHS Pictograms: GHS02; GHS04; GHS06; GHS08
• GHS Signal Word: Danger
• NFPA704:
  

  4

  4

  2
• Explode Limits: 74 %
• GHS Hazard statements: H220-H280-H331-H360D-H372
• GHS Precautionary statements: P201-P210-P261-P311-P410 + P403
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US); Eyeshields, Faceshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1016 2.3

Product Information

• Purity: ≥99.0%
• Concentration: 10 ppm in helium; 10 ppm in nitrogen; 10% in helium
• Grade: puriss.
• Impurities: ≤0.1% H2; ≤0.5% N2; ≤0.5% O2+Ar
• Empirical Formula (Hill Notation): CO

DETAILS

Sigma Aldrich - 295116

Application
contained volume is 440 mL
Packaging
50 L in steel cylinder
Recommended products
Brass control valve Z146943 or either of brass regulators Z146706 and Z146714 is recommended. Lecture Bottle Station Z562599 also recommended.

Sigma Aldrich - 321702

Application
For calibrating analytical instruments.
Packaging
Packaged in lightweight no-return cylinders
Recommended products
Control valve Z166995 or regulator Z167002 is recommended.

Sigma Aldrich - 321133

Application
For calibrating analytical instruments.
Packaging
Packaged in lightweight no-return cylinders
Recommended products
Control valve Z166995 or regulator Z167002 is recommended.

Sigma Aldrich - 321265

Application
For calibrating analytical instruments.
Packaging
Packaged in lightweight no-return cylinder
Recommended products
Control valve Z166995 or regulator Z167002 is recommended.

Sigma Aldrich - 60870

Other Notes
Sales restrictions may apply
Packaging
Cylinder with net ~3 kg