iodobromane

• ChemBase ID: 127832
• Molecular Formular: BrI
• Molecular Mass: 206.80847
• Monoisotopic Mass: 205.82281
• SMILES: BrI
• Canonical SMILES: BrI
• InChI: InChI=1S/BrI/c1-2
• InChIKey: CBEQRNSPHCCXSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: iodobromane
• IUPAC Traditional name: iodine monobromide
• Synonyms: Bromoiodine; Iodine monobromide; Iodine monobromide solution; Iodine bromide; Iodine monobromide; Iodine according to Hanus for the iodine value determination; Iodine bromide solution; Hanus solution; 溴化碘; 一溴化碘; 一溴化碘 溶液; 单溴化碘; 溴化碘 溶液; 用于测定碘值的 Hanus 碘; 哈纳斯 溶液

Database IDs

• CAS Number: 7789-33-5
• EC Number: 232-159-9
• MDL Number: MFCD00011353
• Beilstein Number: 3587194; 3902973
• Merck Index: 145016
• PubChem SID: 24853459; 24861745; 162222150; 24857506
• PubChem CID: 82238
• Chemspider ID: 74216
• Wikipedia Title: Iodine_monobromide

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3709532
• LogD (pH = 7.4): 1.3709532
• Log P: 1.3709532
• Molar Refractivity: 22.076 cm^3
• Polarizability: 9.510373 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: dark red solid; Grey to black crystalline
• Melting Point: 42°C; 42-50 °C(lit.); 50°C subl; 50°C subl.
• Boiling Point: 116°C; 116°C dec.
• Flash Point: 104 °F; 40 °C; None
• Density: 1.458 g/mL at 25 °C; 4.416; 4.416 g/mL at 25 °C(lit.)

Safety Information

• Storage Warning: Moisture & Light Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 2789; 3260; 3264; UN3260
• German water hazard class: 2; 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 10-35; 34; 34-40
• Safety Statements: 20-26-36/37/39-45-60; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314; H314; H314-H318; H314-H351
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; 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; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2789 8/PG 2; UN 3260 8/PG 2; UN 3264 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%; 98% min
• Concentration: 0.1 M IBr; 1.0 M in methylene chloride
• Impurities: acetic acid
• Quality: volumetric
• Linear Formula: IBr
• Empirical Formula (Hill Notation): BrI

DETAILS

Sigma Aldrich - 291021

Packaging
100 mL in Sure/Seal™

Sigma Aldrich - 224847

Application
Electrophile employed in a new synthetic approach to polyketide structural units.1
Packaging
50, 250 g in glass bottle

Sigma Aldrich - 35097

Caution
Storage is limited
General description
Visit our Titration Center to learn more.

REFERENCES

• Selective brominating agent, considered to be intermediate in electrophilic power between bromine and iodine: J. Chem. Soc., 1509 (1939); J. Am. Chem. Soc., 60, 256 (1938); Chem. Commun., 849 (1968).
• Also found to give higher diastereoselectivity than iodine in the cyclization of certain homoallylic carbonates: Tetrahedron Lett., 33, 6439 (1992).
• Reagent for mild, selective deprotection of TBDMS ethers in carbohydrates and nucleosides: Synlett, 311 (1999).