bromo(3-methylthiophen-2-yl)zinc

• ChemBase ID: 150045
• Molecular Formular: C5H5BrSZn
• Molecular Mass: 242.4422
• Monoisotopic Mass: 239.85867516
• SMILES: Cc1ccsc1[Zn]Br
• Canonical SMILES: Br[Zn]c1sccc1C
• InChI: InChI=1S/C5H5S.BrH.Zn/c1-5-2-3-6-4-5;;/h2-3H,1H3;1H;/q;;+1/p-1
• InChIKey: KNFCPQJOQLKVRD-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(3-methylthiophen-2-yl)zinc
• IUPAC Traditional name: bromo(3-methylthiophen-2-yl)zinc
• Synonyms: 3-Methyl-2-thienylzinc bromide solution; 3-甲基-2-噻吩基溴化锌 溶液

Database IDs

• CAS Number: 312693-45-1
• MDL Number: MFCD01319889
• PubChem SID: 162244207; 24874471
• PubChem CID: 3451124

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2534
• LogD (pH = 7.4): 2.2534
• Log P: 2.2534
• Molar Refractivity: 35.5164 cm^3
• Polarizability: 17.06288 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: 0.978 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 2056
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-14-19-36/37
• Safety Statements: 16-26
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• RID/ADR: UN 2056 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Empirical Formula (Hill Notation): C5H5BrSZn

DETAILS

Sigma Aldrich - 525111

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