iodo(12C)methane

• ChemBase ID: 135294
• Molecular Formular: CH3I
• Molecular Mass: 141.92829
• Monoisotopic Mass: 141.9279481
• SMILES: [12CH3]I
• Canonical SMILES: [12CH3]I
• InChI: InChI=1S/CH3I/c1-2/h1H3/i1+0
• InChIKey: INQOMBQAUSQDDS-IGMARMGPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: iodo(^1^2C)methane
• IUPAC Traditional name: iodo(^1^2C)methane
• Synonyms: Methyl-12C iodide; Iodomethane-12C; 甲基碘-12C; 碘甲烷-12C

Database IDs

• CAS Number: 1173018-72-8
• MDL Number: MFCD00198114
• PubChem SID: 162229569
• PubChem CID: 71309206

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: 7.886128 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -66.5 °C(lit.)
• Boiling Point: 42 °C(lit.)
• Density: 2.28 g/mL at 25 °C
• Refractive Index: n20/D 1.529
• Mass Shift: depleted

Safety Information

• 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: 99.9 atom % 12C
• Description: 13C-depleted
• Contains: copper as stabilizer
• Mol. Weight: mol wt 141.93 by atom % calculation
• Linear Formula: 12CH3I

DETAILS

Sigma Aldrich - 606731

Packaging
5 g in glass bottle
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.