(13C)methane

• ChemBase ID: 135884
• Molecular Formular: CH4
• Molecular Mass: 17.03511484
• Monoisotopic Mass: 17.03465497
• SMILES: [13CH4]
• Canonical SMILES: [13CH4]
• InChI: InChI=1S/CH4/h1H4/i1+1
• InChIKey: VNWKTOKETHGBQD-OUBTZVSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^3C)methane
• IUPAC Traditional name: (^1^3C)methane
• Synonyms: 13C Labeled methane; Methane-13C; 甲烷-13C

Database IDs

• CAS Number: 6532-48-5
• MDL Number: MFCD00074796
• PubChem SID: 24872542; 162230155
• PubChem CID: 105026

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.080923
• LogD (pH = 7.4): 1.080923
• Log P: 1.080923
• Molar Refractivity: 6.3468 cm^3
• Polarizability: 2.601 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -183 °C(lit.)
• Boiling Point: -161 °C(lit.)
• Flash Point: -188 °C; -306.4 °F
• Vapor Density: 0.55 (vs air)
• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Highly flammable (F+)
• UN Number: 1971
• German water hazard class: nwg
• Hazard Class: 2.1
• Risk Statements: 12
• Safety Statements: 9-16-33
• GHS Pictograms: GHS02; GHS04
• GHS Signal Word: Danger
• GHS Hazard statements: H220-H280
• GHS Precautionary statements: P210-P410 + P403
• RID/ADR: UN 1971 2.1

Product Information

• Isotopic Purity: 10 atom % 13C; 30 atom % 13C; 99 atom % 13C; 99.5 atom % 13C
• Linear Formula: 13CH4

DETAILS

Sigma Aldrich - 600156

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 - 490229

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.
Recommended products
Stainless steel control valves Z146951or Z187224

Sigma Aldrich - 603376

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 - 600164

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.