2-Ethyltoluene, 98+%, Thermo Scientific Chemicals

CAS: 611-14-3 | C9H12 | 120.195 g/mol

Catalog Number	Quantity
ALFL02028.06	5 g

Catalog number ALFL02028.06

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Chemical Identifiers

CAS937-14-4

IUPAC Name3-chlorobenzene-1-carboperoxoic acid

Molecular FormulaC7H5ClO3

InChI KeyNHQDETIJWKXCTC-UHFFFAOYSA-N

SMILESOOC(=O)C1=CC=CC(Cl)=C1

Specifications

Appearance (Form)Moist powder

3-Chlorobenzoic acid=<12 %

HPLCdi-m-Chlorobenzoyl peroxide: < 0.1% Typical

HPLC=<0.2 % di-m-Chlorobenzoyl peroxide

Titration Iodometric70 to 75 %

2-Ethyltoluene, is used to predict novel lead compounds for drug discovery that depends on the quality of the docking scoring function.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
2-Ethyltoluene, is used to predict novel lead compounds for drug discovery that depends on the quality of the docking scoring function.

Solubility
Soluble in water (74.6 mg/L (25°C)).

Notes
Store away from strong oxidizing agents. Keep container tightly closed. Store in cool, dry conditions in well sealed containers.

RUO – Research Use Only

General References:

Monica Alonso.; Laura Cerdan.; Anna Godayol.; Enriqueta Antico.; Juan M. Sanchez. Headspace needle-trap analysis of priority volatile organic compounds from aqueous samples: Application to the analysis of natural and waste waters. Journal of Chromatography A. 2011, 1218, (45), 8131-8139.
A. Roubaud.; R. Minetti.; L.R. Sochet. Oxidation and combustion of low alkylbenzenes at high pressure: comparative reactivity and auto-ignition. Combustion and Flame. 2000, 121, (3), 535-541.