iodomethane

• ChemBase ID: 103330
• 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
• IUPAC Traditional name: methyl iodide
• Synonyms: 5-IODOISATIN; Iodomethane solution; Iodomethane; Methyl iodide; IODOMETHANE; Methyl iodine; Monoiodomethane; Methyl iodide; 碘甲烷 溶液; 甲基碘; 碘甲烷

Database IDs

• CAS Number: 74-88-4
• EC Number: 200-819-5
• MDL Number: MFCD00001073
• Beilstein Number: 969135
• Merck Index: 146087
• PubChem SID: 24869230; 24896140; 24857202; 162090934
• PubChem CID: 6328
• CHEBI ID: 39282
• CHEMBL: 115849
• Chemspider ID: 6088
• Gmelin ID: 1233
• KEGG ID: C18448
• MeSH Name: methyl+iodide
• Wikipedia Title: Methyl_iodide

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

• Solubility: 14 g L^-1 (at 20 °C) in water
• Apperance: Colourless liquid; Liquid
• Melting Point: -64(lit.); -66.45°C (206.7K); -67 °C (-88 °F); -67°C; -67°C
• Boiling Point: 41-43 °C; 41-43 °C(lit.); 41-43°C; 42.35 - 42.75°C (315.5 - 315.9 K); 43 °C (109 °F); 43°C
• Flash Point: -.4 °F; 10 °C; -18 °C; 50 °F
• Density: 0.933 g/mL at 25 °C; 2.28; 2.28 (water = 1); 2.28 g mL^-1; 2.28 g/ml; 2.28 g/mL at 25 °C(lit.)
• Refractive Index: 1.5300; 1.530–1.531; n20/D 1.383; n20/D 1.530; n20/D 1.531(lit.)
• Vapor Pressure: 16.85 psi ( 55 °C); 24.09 psi ( 55 °C); 4.86 psi ( 20 °C); 400 mm Hg (53 kPa) at 25 °C; 54.4 kPa (at 20 °C); 7.89 psi ( 20 °C)
• Vapor Density: 4.89 (vs air); 4.9 (air = 1)
• Partition Coefficient: 1.609
• Henry Constant: 1.4 μmol Pa^-1 kg^-1
• Heat Capacity: 82.75 J K^-1 mol^-1
• Std enthalpy of combustion: -808.9–-808.3 kJ mol^-1
• Std enthalpy of formation: -14.1–-13.1 kJ mol^-1

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Light Sensitive
• RTECS: PA9450000
• European Hazard Symbols: Flammable (F); Toxic (T); Harmful (Xn)
• UN Number: 1230; 1992; 2644; UN2644
• German water hazard class: 1; 3
• Hazard Class: 3; 6.1
• Packing Group: 1; 2; I; Truck Only (Not for Export)
• Australian Hazchem: 2XE
• Risk Statements: 11-20/22-38-40; 11-23/24/25-39/23/24/25; 21-23/25-37/38-40; R:21-23/25-37/38-40; r21, r23/25, r37/38, r40
• Safety Statements: 16-36/37; 36/37-38-45; 7-16-36/37-45; S:38-45-36/37; s1/2, s36/37, s38, s45
• EU Classification: T1
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 151
• TSCA Listed: 是
• EU Index: 602-005-00-9
• GHS Pictograms: GHS health hazard; GHS skull and crossbones; GHS02; GHS06; GHS07; GHS08
• GHS Signal Word: DANGER; Danger
• NFPA704:
  

  1

  3

  1
• LD50: 76 mg kg^-1 (oral, rat); 800 mg kg^-1 (dermal, guinea pig)
• Explode Limits: 8.5–66%
• GHS Hazard statements: 301, 312, 315, 331, 335, 351; H225-H302-H315-H351; H301-H311-H330-H315-H335-H351; H301-H312-H315-H331-H335-H351; H301-H331-H312-H315-H335-H351
• GHS Precautionary statements: 261, 280, 301+310, 311; P210-P281; P260-P301+P310-P304+P340-P320-P330-P361-P405-P501A; P261-P280-P301 + P310-P311; P261-P301+P310-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1230 3/PG 2; UN 1992 3/PG 2; UN 2644 6.1/PG 1
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥93.0%; ≥99% (GC); ≥99.0% (GC); ≥99.5%; ≥99.5% (GC); 99%; 99%, stab. with copper or silver; 99.5%; 99.5%, stab. with copper; 99+%, stab. with copper
• Concentration: ~2.0 M in tert-butyl methyl ether; 2.0 M in tert-butyl methyl ether; 2000 μg/mL in methanol: water (4:1)
• Grade: analytical standard; puriss.; purum; ReagentPlus®; SAJ first grade; SAJ special grade
• Packaging: ampule of 1 mL
• Impurities: ≤0.01% free acid (as HI); ≤0.1% water (Karl Fischer); ≤0.5% CH2I2
• Contains: copper as stabilizer; silver foil as stabilizer; silver wool as stabilizer
• Quality: redist.
• Feature: standard type calibration
• Empirical Formula (Hill Notation): CH3I

DETAILS

MP Biomedicals - 02151351

Reagent for removal of C-protecting β-methylthioethyl esters.
1 ml = approx. 2.28 g
NOT FOR EXPORT

MP Biomedicals - 05212521

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 67690

Other Notes
Reagent for the permethylation according to Lederer1

Sigma Aldrich - 456756

Packaging
100, 800 mL in Sure/Seal™

Sigma Aldrich - I8507

Packaging
10, 25 kg in ss drum
100, 500 g in glass bottle
2 kg in glass bottle
5 g in ampule
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 289566

Packaging
100, 500 g in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC