(3-bromophenyl)(iodo)zinc

• ChemBase ID: 150069
• Molecular Formular: C6H4BrIZn
• Molecular Mass: 348.28443
• Monoisotopic Mass: 345.78325213
• SMILES: c1cc(cc(c1)Br)[Zn]I
• Canonical SMILES: I[Zn]c1cccc(c1)Br
• InChI: InChI=1S/C6H4Br.HI.Zn/c7-6-4-2-1-3-5-6;;/h1-2,4-5H;1H;/q;;+1/p-1
• InChIKey: XLMNHUGHMAZHRY-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-bromophenyl)(iodo)zinc
• IUPAC Traditional name: (3-bromophenyl)(iodo)zinc
• Synonyms: 3-Bromophenylzinc iodide solution; 3-Bromophenylzinc iodide, 0.5M in THF; 3-溴苯基碘化锌 溶液

Database IDs

• CAS Number: 186000-44-2
• MDL Number: MFCD01311440
• PubChem SID: 162244231; 24873133
• PubChem CID: 4163539

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9826
• LogD (pH = 7.4): 2.9826
• Log P: 2.9826
• Molar Refractivity: 46.4379 cm^3
• Polarizability: 21.932074 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C
• Flash Point: 1.4 °F; -17 °C
• Density: 1.023; 1.023 g/mL at 25 °C

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F); Irritant (Xi)
• UN Number: 2056; UN3399
• German water hazard class: 3
• Hazard Class: 3; 4.3
• Packing Group: 2; II
• Risk Statements: 11-15-19-34-37; 11-19-36/37
• Safety Statements: 16-26; 7/8-9-16-20-23-26-33-36/37/39-43-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H260-H314-H318-H335; H225-H319-H335
• GHS Precautionary statements: P210-P231+P232-P303+P361+P353-P305+P351+P338-P405-P501; P210-P261-P305 + P351 + P338
• RID/ADR: UN 2056 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF; 0.5M in THF
• Packaging: packaged under Argon in resealable ChemSeal? bottles
• Linear Formula: BrC6H4Znl

DETAILS

Sigma Aldrich - 497649

Packaging
50 mL in Sure/Seal™
Legal Information
Product of Rieke® Metals, Inc.
Rieke is a registered trademark of Rieke Metals, Inc.