iodomethane

• ChemBase ID: 131311
• Molecular Formular: CH3I
• Molecular Mass: 141.93899
• Monoisotopic Mass: 141.9279481
• SMILES: CI
• Canonical SMILES: CI
• InChI: InChI=1S/CH3I/c1-2/h1H3
• InChIKey: INQOMBQAUSQDDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: iodomethane; iodo(^2H₃)methane
• IUPAC Traditional name: methyl iodide; iodo(^2H₃)methane
• Synonyms: Iodomethane-d3; Methyl-12C,d3 iodide; Iodomethane-12C,d3; Methyl-d3 Iodide; 甲基碘-d3; 碘甲烷-d3; 甲基碘-12C,d3; 碘甲烷-12C,d3

Database IDs

• CAS Number: 865-50-9
• EC Number: 212-744-5
• MDL Number: MFCD00001074
• Beilstein Number: 1732026
• PubChem SID: 24850545; 162225589; 24857873
• PubChem CID: 2723978

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

• Melting Point: -66.5 °C(lit.)
• Boiling Point: 42 °C(lit.)
• Density: 2.329 g/mL at 25 °C; 2.330 g/mL at 25 °C
• Refractive Index: n20/D 1.5262(lit.)
• Vapor Pressure: 22.76 psi ( 55 °C); 22.83 psi ( 55 °C); 6.61 psi ( 20 °C); 6.66 psi ( 20 °C)
• Vapor Density: 4.89 (vs air)
• Mass Shift: M+3

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; 21-23/25-37/38-40-53
• Safety Statements: 36/37-38-45; 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
• Storage Temperature: 2-8°C

Product Information

• Isotopic Purity: 98 atom % D; 99.5 atom % D; 99.9 atom % 12C
• Description: 13C-depleted
• Contains: copper as stabilizer
• Mol. Weight: mol wt 144.95 by atom % calculation; mol wt 144.96 by atom % calculation
• Linear Formula: 12CD3I; CD3I

DETAILS

Sigma Aldrich - 176036

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, 25, 50 g in glass bottle

Sigma Aldrich - 296759

Packaging
1, 5 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.