tetraiodomethane

• ChemBase ID: 126411
• Molecular Formular: CI4
• Molecular Mass: 519.62858
• Monoisotopic Mass: 519.617892
• SMILES: IC(I)(I)I
• Canonical SMILES: IC(I)(I)I
• InChI: InChI=1S/CI4/c2-1(3,4)5
• InChIKey: JOHCVVJGGSABQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraiodomethane
• IUPAC Traditional name: carbon tetraiodide
• Synonyms: Carbon tetraiodide; Tetraiodomethane; Tetraiodomethane; Carbon tetraiodide; Carbon tetraiodide; Periodomethane; 四碘化碳; 四碘甲烷; 四碘化碳

Database IDs

• CAS Number: 507-25-5
• EC Number: 208-068-5
• MDL Number: MFCD00001067
• Beilstein Number: 1733108
• Merck Index: 141818
• PubChem SID: 162220745; 24856318
• PubChem CID: 10487
• Chemspider ID: 10055
• Wikipedia Title: Carbon_tetraiodide

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.793323
• LogD (pH = 7.4): 5.793323
• Log P: 5.793323
• Molar Refractivity: 58.0886 cm^3
• Polarizability: 24.654606 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Dark violet crystals
• Melting Point: 168 °C (dec.)(lit.); ca 168°C dec.
• Density: 4.32 g mL^-1
• Heat Capacity: 259.8 J K^-1 mol^-1
• Std enthalpy of combustion: -794.4–-778.4 kJ mol^-1
• Std enthalpy of formation: 384.0–400.4 kJ mol^-1

Safety Information

• Storage Warning: Moisture & Light Sensitive
• RTECS: FG4960000
• European Hazard Symbols: X; Irritant (Xi)
• UN Number: UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/37/38; 36/37/38; R36/37/38
• Safety Statements: 26-36; 9-26-36/37; S26, S36
• TSCA Listed: 是
• GHS Pictograms: GHS exclamation mark; GHS06; GHS07
• GHS Signal Word: WARNING; Warning
• GHS Hazard statements: 315, 319, 335; H315-H319-H335; H331-H302-H312-H315-H319-H335
• GHS Precautionary statements: 261, 305+351+338; P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 94%; 95+%; 97%
• Empirical Formula (Hill Notation): CI4

DETAILS

Sigma Aldrich - 269220

Packaging
5, 25 g in glass bottle