iodo(methoxy)methane

• ChemBase ID: 150297
• Molecular Formular: C2H5IO
• Molecular Mass: 171.96497
• Monoisotopic Mass: 171.93851278
• SMILES: COCI
• Canonical SMILES: COCI
• InChI: InChI=1S/C2H5IO/c1-4-2-3/h2H2,1H3
• InChIKey: UUSXSNJAQDJKCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: iodo(methoxy)methane
• IUPAC Traditional name: iodo(methoxy)methane
• Synonyms: Iodomethyl methyl ether; 碘甲基甲基醚

Database IDs

• CAS Number: 13057-19-7
• MDL Number: MFCD00134516
• PubChem SID: 24863729; 162244458
• PubChem CID: 139376

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1539474
• LogD (pH = 7.4): 1.1539474
• Log P: 1.1539474
• Molar Refractivity: 25.6827 cm^3
• Polarizability: 10.46243 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 39 °C/20 mmHg(lit.)
• Flash Point: 22 °C; 71.6 °F
• Density: 2.03 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.546(lit.)

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 3286
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 10-23/24/25-34-40-53
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301 + H311 + H331-H314-H351
• GHS Precautionary statements: P210-P261-P280-P301 + P310-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3286 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%
• Contains: copper as stabilizer
• Linear Formula: ICH2OCH3

DETAILS

Sigma Aldrich - 380229

Packaging
5 g in glass bottle