bromo[5-(ethoxycarbonyl)thiophen-2-yl]zinc

• ChemBase ID: 139623
• Molecular Formular: C7H7BrO2SZn
• Molecular Mass: 300.47828
• Monoisotopic Mass: 297.86415446
• SMILES: CCOC(=O)c1ccc(s1)[Zn]Br
• Canonical SMILES: CCOC(=O)c1ccc(s1)[Zn]Br
• InChI: InChI=1S/C7H7O2S.BrH.Zn/c1-2-9-7(8)6-4-3-5-10-6;;/h3-4H,2H2,1H3;1H;/q;;+1/p-1
• InChIKey: CWKQCJOCFKKLMC-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo[5-(ethoxycarbonyl)thiophen-2-yl]zinc
• IUPAC Traditional name: bromo[5-(ethoxycarbonyl)thiophen-2-yl]zinc
• Synonyms: 5-Ethoxycarbonyl-2-thienylzinc bromide solution; 5-乙氧羰基-2-噻吩基溴化锌 溶液

Database IDs

• CAS Number: 352530-37-1
• MDL Number: MFCD02260182
• PubChem SID: 162233871; 24877970
• PubChem CID: 16216970

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4295
• LogD (pH = 7.4): 2.4295
• Log P: 2.4295
• Molar Refractivity: 47.0332 cm^3
• Polarizability: 21.70119 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C
• Density: 0.994 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: 11-19-36/37
• Safety Statements: 16-26
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H319-H335
• GHS Precautionary statements: 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
• Empirical Formula (Hill Notation): C7H7BrO2SZn

DETAILS

Sigma Aldrich - 533548

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