tribromo-λ3-iodane

• ChemBase ID: 134447
• Molecular Formular: Br3I
• Molecular Mass: 366.61647
• Monoisotopic Mass: 363.659484
• SMILES: Br[I](Br)Br
• Canonical SMILES: Br[I](Br)Br
• InChI: InChI=1S/Br3I/c1-4(2)3
• InChIKey: FXOJASSPEGUXFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tribromo-λ^3-iodane
• IUPAC Traditional name: tribromo-λ^3-iodane
• Synonyms: Iodine tribromide; 三溴化碘

Database IDs

• CAS Number: 7789-58-4
• EC Number: 232-176-1
• MDL Number: MFCD00043087
• PubChem SID: 24881035; 162228723
• PubChem CID: 5187573

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.754649
• LogD (pH = 7.4): 2.754649
• Log P: 2.754649
• Molar Refractivity: 39.5464 cm^3
• Polarizability: 16.687323 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 3.41 g/mL at 20 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3264
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3264 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (RT)
• Linear Formula: IBr3