bromo(thiophen-2-yl)zinc

• ChemBase ID: 146800
• Molecular Formular: C4H3BrSZn
• Molecular Mass: 228.41562
• Monoisotopic Mass: 225.8430251
• SMILES: c1cc(sc1)[Zn]Br
• Canonical SMILES: Br[Zn]c1cccs1
• InChI: InChI=1S/C4H3S.BrH.Zn/c1-2-4-5-3-1;;/h1-3H;1H;/q;;+1/p-1
• InChIKey: KBBMRTYVFOYNIW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(thiophen-2-yl)zinc
• IUPAC Traditional name: bromo(thiophen-2-yl)zinc
• Synonyms: 2-Thienylzinc bromide solution; 2-Thienylzinc bromide, 0.5M in THF; 2-噻吩基溴化锌 溶液

Database IDs

• CAS Number: 45438-80-0
• MDL Number: MFCD01317002
• PubChem SID: 24873279; 162240992
• PubChem CID: 4428324

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.7862
• LogD (pH = 7.4): 1.7862
• Log P: 1.7862
• Molar Refractivity: 30.4752 cm^3
• Polarizability: 15.366177 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 0 °F; -18 °C
• Density: 0.973; 0.973 g/mL at 25 °C

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F); Irritant (Xi)
• UN Number: 3399; UN3399
• German water hazard class: 1
• Hazard Class: 4.3
• Packing Group: 2; II
• Risk Statements: 11-15-19-34-37; 11-19-36/37
• Safety Statements: 16-29-33; 7/8-9-16-20-23-26-33-36/37/39-43-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Hazard statements: H224-H260-H314-H318-H335
• GHS Precautionary statements: P210-P231+P232-P303+P361+P353-P305+P351+P338-P405-P501
• RID/ADR: UN 3399 4.3/PG 2
• 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
• Empirical Formula (Hill Notation): C4H3BrSZn

DETAILS

Sigma Aldrich - 499412

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