iodo(13C,2H3)methane

• ChemBase ID: 138139
• Molecular Formular: CH3I
• Molecular Mass: 142.93164484
• Monoisotopic Mass: 142.93130293
• SMILES: [13CH3]I
• Canonical SMILES: [13CH3]I
• InChI: InChI=1S/CH3I/c1-2/h1H3/i1+1
• InChIKey: INQOMBQAUSQDDS-OUBTZVSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: iodo(^1^3C,^2H₃)methane
• IUPAC Traditional name: iodo(^1^3C,^2H₃)methane
• Synonyms: Methyl-13C,d3 iodide; Iodomethane-13C,d3; 13C-Methyl-d3 Iodide; Iodomethane-13C,d3 (Copper Wire Stabilized); 甲基碘-13C,d3; 碘甲烷-13C,d3

Database IDs

• CAS Number: 20710-47-8
• MDL Number: MFCD00001076
• PubChem SID: 24857734; 162232397
• PubChem CID: 11400850

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.5555657
• LogD (pH = 7.4): 1.5555657
• Log P: 1.5555657
• Molar Refractivity: 19.4953 cm^3
• Polarizability: 7.873246 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Clear Colorless Liquid
• Melting Point: -66.5 °C(lit.)
• Boiling Point: 42 °C(lit.)
• Density: 2.340 g/mL at 25 °C
• Vapor Pressure: 332 mmHg ( 20 °C)
• Vapor Density: 4.89 (vs air)
• Mass Shift: M+4

Safety Information

• Storage Condition: Refrigerator
• European Hazard Symbols: Toxic (T)
• UN Number: 2644
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1
• Risk Statements: 21-23/25-37/38-40-53
• Safety Statements: 36/37-45
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H312-H315-H331-H335-H351
• GHS Precautionary statements: P261-P280-P301 + P310-P311
• RID/ADR: UN 2644 6.1/PG 1

Product Information

• Isotopic Purity: 99 atom % 13C; 99.5 atom % D
• Contains: copper as stabilizer
• Mol. Weight: mol wt 145.95 by atom % calculation
• Linear Formula: 13CD3I

DETAILS

Sigma Aldrich - 294756

Packaging
1 g in ampule
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.
5 g in glass bottle