bromo(5-bromothiophen-2-yl)zinc

• ChemBase ID: 138364
• Molecular Formular: C4H2Br2SZn
• Molecular Mass: 307.31168
• Monoisotopic Mass: 303.75353706
• SMILES: c1cc(sc1[Zn]Br)Br
• Canonical SMILES: Br[Zn]c1ccc(s1)Br
• InChI: InChI=1S/C4H2BrS.BrH.Zn/c5-4-2-1-3-6-4;;/h1-2H;1H;/q;;+1/p-1
• InChIKey: CKUHRPBGJXZNIF-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(5-bromothiophen-2-yl)zinc
• IUPAC Traditional name: bromo(5-bromothiophen-2-yl)zinc
• Synonyms: 5-Bromo-2-thienylzinc bromide solution; 5-溴-2-噻吩基溴化锌 溶液

Database IDs

• CAS Number: 151073-94-8
• MDL Number: MFCD00671986
• PubChem SID: 24873135; 162232620
• PubChem CID: 4413080

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.5025
• LogD (pH = 7.4): 2.5025
• Log P: 2.5025
• Molar Refractivity: 37.2579 cm^3
• Polarizability: 18.62052 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C
• Density: 1.021 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2056
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-14/15-19-34-37
• Safety Statements: 16-26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H261-H314-H335
• GHS Precautionary statements: P210-P231 + P232-P261-P280-P305 + P351 + P338-P422
• RID/ADR: UN 2056 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Concentration: 0.5 M in THF
• Empirical Formula (Hill Notation): C4H2Br2SZn

DETAILS

Sigma Aldrich - 497665

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