2-(ETHOXYCARBONYL)PHENYLZINC BROMIDE

Inquiry

Molecular Formula:

C9H9BrO2Zn

Molecular Weight:

294.46

CAS Number:

131379-40-3

Catalog Number:

131379-40-3

Product Information

Molecular Formula:

C9H9BrO2Zn

Molecular Weight:

294.46

Description

2-(Ethoxycarbonyl)phenylzinc Bromide is a chemical reagent utilized in organic synthesis within the biomedical realm. Its unique reactions make it useful in constructing peptidomimetic and anti-cancer compounds. It is pivotal in synthesis of drugs for oncological applications.

Synonyms

2-(ETHOXYCARBONYL)PHENYLZINC BROMIDE; 2-(ETHOXYCARBONYL)PHENYLZINC BROMIDE, 0. 5M SOLUTION IN TETRAHYDROFURAN; 2-(ethoxycarbonyl)phenylzinc bromide solution

IUPAC Name

bromozinc(1+)ethyl benzoate

Canonical SMILES

CCOC(=O)C1=CC=CC=[C-]1.[Zn+]Br

InChI

InChI=1S/C9H9O2.BrH.Zn/c1-2-11-9(10)8-6-4-3-5-7-8/h3-6H,2H2,1H31H/q-1+2/p-1

InChI Key

LRSRESIMIGVTLH-UHFFFAOYSA-M

Flash Point

1.4 °F - closed cup

Density

0.992 g/mL at 25 °C

Storage

2-8°C

Safety Information

Hazards

H225 - H261 - H302 - H319 - H335 - H336 - H351

Precautionary Statement

P201 - P210 - P231 + P232 - P301 + P312 - P305 + P351 + P338 - P308 + P313

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

291.90773 g/mol

Monoisotopic Mass

291.90773 g/mol

Topological Polar Surface Area

26.3Å²

Heavy Atom Count

Formal Charge

Complexity

244

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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2-(ETHOXYCARBONYL)PHENYLZINC BROMIDE

Product Information

Safety Information

Computed Properties

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