trichloro-λ3-iodane

• ChemBase ID: 127836
• Molecular Formular: Cl3I
• Molecular Mass: 233.26347
• Monoisotopic Mass: 231.81103104
• SMILES: Cl[I](Cl)Cl
• Canonical SMILES: Cl[I](Cl)Cl
• InChI: InChI=1S/Cl3I/c1-4(2)3
• InChIKey: PAWIVBWALDNUJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloro-λ^3-iodane
• IUPAC Traditional name: iodine trichloride; trichloro-λ^3-iodane
• Synonyms: Iodine trichloride; Iodine trichloride; 三氯化碘

Database IDs

• CAS Number: 865-44-1
• EC Number: 212-739-8
• MDL Number: MFCD00036291
• PubChem SID: 24862052; 162222154
• PubChem CID: 70076
• Chemspider ID: 63265
• Wikipedia Title: Iodine_trichloride

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3044906
• LogD (pH = 7.4): 2.3044906
• Log P: 2.3044906
• Molar Refractivity: 31.7497 cm^3
• Polarizability: 12.933488 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: yellow solid
• Melting Point: 63 °C
• Density: 3.11 g/cm^3

Safety Information

• European Hazard Symbols: Corrosive (C); Oxidising (O)
• UN Number: 3085
• German water hazard class: 3
• Hazard Class: 5.1
• Packing Group: 2
• Risk Statements: 34; 9-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS03; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H272-H314
• GHS Precautionary statements: P220-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3085 5.1/PG 2
• Storage Temperature: -20°C

Product Information

• Purity: ≥96.0%; ≥97.0%; 97%
• Grade: SAJ first grade; SAJ special grade
• Linear Formula: ICl3

DETAILS

Sigma Aldrich - 359122

Packaging
50 g in glass bottle