bromo[2-(ethoxycarbonyl)phenyl]zinc

• ChemBase ID: 144935
• Molecular Formular: C9H9BrO2Zn
• Molecular Mass: 294.45056
• Monoisotopic Mass: 291.90773353
• SMILES: CCOC(=O)c1ccccc1[Zn]Br
• Canonical SMILES: CCOC(=O)c1ccccc1[Zn]Br
• InChI: InChI=1S/C9H9O2.BrH.Zn/c1-2-11-9(10)8-6-4-3-5-7-8;;/h3-6H,2H2,1H3;1H;/q;;+1/p-1
• InChIKey: XOFOTLKSCXXHTH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo[2-(ethoxycarbonyl)phenyl]zinc
• IUPAC Traditional name: bromo[2-(ethoxycarbonyl)phenyl]zinc
• Synonyms: 2-(Ethoxycarbonyl)phenylzinc bromide solution; 2-(Ethoxycarbonyl)phenylzinc bromide, 0.5M in THF; 2-(乙氧羰基)苯基溴化锌 溶液

Database IDs

• CAS Number: 131379-40-3
• EC Number: 203-726-8
• MDL Number: MFCD01863743
• PubChem SID: 162239147; 24874139
• PubChem CID: 3330883

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6824
• LogD (pH = 7.4): 2.6824
• Log P: 2.6824
• Molar Refractivity: 50.9834 cm^3
• Polarizability: 22.794043 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: 0.992; 0.992 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: 16-29-33; 7/8-9-16-20-23-26-33-36/37/39-43-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS 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: C2H5O2CC6H4ZnBr

DETAILS

Sigma Aldrich - 520470

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