iodoethane

• ChemBase ID: 77995
• Molecular Formular: C2H5I
• Molecular Mass: 155.96557
• Monoisotopic Mass: 155.94359816
• SMILES: ICC
• Canonical SMILES: CCI
• InChI: InChI=1S/C2H5I/c1-2-3/h2H2,1H3
• InChIKey: HVTICUPFWKNHNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: iodoethane
• IUPAC Traditional name: ethyl iodide
• Synonyms: Iodoethane; Ethyl iodide; 1-Iodoethane; IODOETHANE; ETHYL IODIDE; 乙基碘; 碘乙烷

Database IDs

• CAS Number: 75-03-6
• EC Number: 200-833-1
• MDL Number: MFCD00001091
• Beilstein Number: 505934
• Merck Index: 143813
• PubChem SID: 162042831; 24845690; 24896126; 24845689
• PubChem CID: 6340
• CHEMBL: 1232588
• Chemspider ID: 6100
• Wikipedia Title: Ethyl_iodide

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.8085958
• LogD (pH = 7.4): 1.8085958
• Log P: 1.8085958
• Molar Refractivity: 24.2931 cm^3
• Polarizability: 9.626734 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 4 g L^-1 (at 20 °C) in water; Miscible in diethyl ether; Miscible in ethanol
• Apperance: Colourless liquid
• Melting Point: -108 °C (-162 °F); -108 °C(lit.); -108°C; -108°C; -111.10°C (162.05K)
• Boiling Point: 69-73 °C(lit.); 70-73°C; 71.45 - 73.25°C (344.6 - 346.4 K); 71-72°C; 72 °C (162 °F); 72°C
• Flash Point: >161.6 °F; >72 °C; 53°C(127°F); 72 °C; 72°C
• Density: 1.932; 1.9358 at 20 °C (water = 1); 1.9358 g/ml; 1.940 g mL^-1; 1.940 g/mL at 25 °C(lit.); 1.95
• Refractive Index: 1.5120; 1.513–1.514; n20/D 1.513; n20/D 1.513(lit.); n20/D 1.514
• Vapor Pressure: 100 mmHg ( 18 °C); 137 mm Hg (18.3 kPa) at 25 °C; 17.7 kPa
• Vapor Density: 5.38 (vs air); 5.4 (air = 1) (calc.)
• Partition Coefficient: 2.119
• Henry Constant: 1.8 μmol Pa^-1 kg^-1
• Viscosity: 5.925 mPa s (at 20 °C)
• Heat Capacity: 109.7 J K^-1 mol^-1
• Std enthalpy of combustion: -1.4629–-1.4621 MJ mol^-1
• Std enthalpy of formation: -39.9–-38.3 kJ mol^-1

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Harmful/Irritant/Moisture Sensitive/Light Sensitive; Light Sensitive
• RTECS: KI4750000
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: UN2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-37/38-41-43; 22-36/37/38-42/43; R20, R36/37/38, R42/43
• Safety Statements: 23-26-36/37-45; 24-26-36/37; S23, S26, S36/37, S45
• TSCA Listed: 是
• GHS Pictograms: GHS exclamation mark; GHS health hazard; GHS05; GHS06; GHS07; GHS08
• GHS Signal Word: DANGER; Danger
• NFPA704:
  

  1

  2

  1
• LD50: 330 g m^-3 (oral, rat)
• GHS Hazard statements: 302, 315, 317, 319, 334, 335; H302-H315-H317-H319-H334-H335; H331-H302-H312-H315-H317-H335-H318
• GHS Precautionary statements: 261, 280, 305+351+338, 342+311; P261-P280-P305 + P351 + P338-P342 + P311; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥98.0% (GC); ≥99.5% (GC); 98+%, stab. with copper; 99%
• Grade: puriss.; purum; ReagentPlus®
• Contains: copper as stabilizer; silver wool as stabilizer
• Empirical Formula (Hill Notation): C2H5I

DETAILS

MP Biomedicals - 02155057

(Ethyl iodide) Colorless to faint yellow liquid 1 ml = approx. 1.95 g

Apollo Scientific Ltd - OR16933

Stabilised with copper

Sigma Aldrich - I7780

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