tetraiodoethene

• ChemBase ID: 146381
• Molecular Formular: C2I4
• Molecular Mass: 531.63928
• Monoisotopic Mass: 531.617892
• SMILES: C(=C(I)I)(I)I
• Canonical SMILES: IC(=C(I)I)I
• InChI: InChI=1S/C2I4/c3-1(4)2(5)6
• InChIKey: ZGQURDGVBSSDNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraiodoethene
• IUPAC Traditional name: ethene, tetraiodo-
• Synonyms: Tetraiodoethylene; 四碘乙烯

Database IDs

• CAS Number: 513-92-8
• EC Number: 208-176-2
• MDL Number: MFCD00001070
• PubChem SID: 24859119; 162240579
• PubChem CID: 10568

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.412186
• LogD (pH = 7.4): 5.412186
• Log P: 5.412186
• Molar Refractivity: 82.0146 cm^3
• Polarizability: 26.10193 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 191-193 °C(lit.)
• Vapor Density: 18.3 (vs air)

Safety Information

• RTECS: KX4125000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: I2C=CI2

DETAILS

Sigma Aldrich - 318248

Packaging
5 g in glass bottle