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145009

2,4-Dichlorotoluene

Name: 2,4-Dichlorotoluene
Brand: ALDRICH

99%

Synonyme(s) :

1,3-Dichloro-4-methylbenzene, 2,4-Dichloro-1-methylbenzene

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About This Item

Formule linéaire :

CH₃C₆H₃Cl₂

Numéro CAS:

95-73-8

Poids moléculaire :

161.03

Numéro Beilstein :

1931691

Numéro CE :

202-445-8

Numéro MDL:

MFCD00000583

Code UNSPSC :

12352100

ID de substance PubChem :

24848696

Nomenclature NACRES :

NA.22

Pureté

99%

Forme

liquid

Indice de réfraction

n20/D 1.546 (lit.)

Point d'ébullition

200 °C (lit.)

Densité

1.246 g/mL at 25 °C (lit.)

Chaîne SMILES

Cc1ccc(Cl)cc1Cl

InChI

1S/C7H6Cl2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3

Clé InChI

FUNUTBJJKQIVSY-UHFFFAOYSA-N

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Application

2,4-Dichlorotoluene was used as an oxidant and a solvent during anaerobic catalytic oxidation of secondary alcohols by using an in situ (N-heterocyclic carbene)-Ni(0) system. It was used as growth supplement in the culture media of Ralstonia sp. strain PS12. It was used to develop a sensitive method based on solid-phase microextraction followed by gas chromatography-tandem mass spectrometry for the analysis of chlorotoluenes in water samples.

Classification des risques

Aquatic Chronic 2

Code de la classe de stockage

10 - Combustible liquids

Classe de danger pour l'eau (WGK)

WGK 2

Point d'éclair (°F)

174.2 °F

Point d'éclair (°C)

79 °C

Équipement de protection individuelle

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Sigma-Aldrich

267929

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Sigma-Aldrich

297879

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[Gas chromatographic determination of 2,4-dichlorotoluene in water].

T A Kozeĭko et al.

Gigiena i sanitariia, (3)(3), 44-45 (1988-03-01)

α-Bromo-2,6-dichlorotoluene: molecular structure, vibrational spectroscopy, natural bond orbital analysis and NMR studies.

V Karunakaran et al.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 95, 64-72 (2012-05-23)

The FT-IR and FT-Raman spectra of α-bromo-2,6-dichlorotoluene (αBDCT) have been recorded. The structural and spectroscopic data of the molecule in the ground state have been calculated using Hartree Fock (HF) and Density Functional Theory (DFT)/B3LYP with the standard 6-31++G(d,p) basis

Measurement and theory of hydrogen bonding contribution to isosteric DNA base pairs.

Omid Khakshoor et al.

Journal of the American Chemical Society, 134(6), 3154-3163 (2012-02-04)

We address the recent debate surrounding the ability of 2,4-difluorotoluene (F), a low-polarity mimic of thymine (T), to form a hydrogen-bonded complex with adenine in DNA. The hydrogen bonding ability of F has been characterized as small to zero in

Rapid and selective catalytic oxidation of secondary alcohols at room temperature by using (N-heterocyclic carbene)-ni(0) systems.

Christophe Berini et al.

Chemistry (Weinheim an der Bergstrasse, Germany), 16(23), 6857-6860 (2010-05-11)

The selective, anaerobic catalytic oxidation of secondary alcohols at room temperature by using an in situ (N-heterocyclic carbene)-Ni(0) system is presented. The use of non-anhydrous, non-degassed 2,4-dichlorotoluene as both the oxidant and the solvent allows for very short reaction times

Metabolism of dichloromethylcatechols as central intermediates in the degradation of dichlorotoluenes by Ralstonia sp. strain PS12.

Katrin Pollmann et al.

Journal of bacteriology, 184(19), 5261-5274 (2002-09-10)

Ralstonia sp. strain PS12 is able to use 2,4-, 2,5-, and 3,4-dichlorotoluene as growth substrates. Dichloromethylcatechols are central intermediates that are formed by TecA tetrachlorobenzene dioxygenase-mediated activation at two adjacent unsubstituted carbon atoms followed by TecB chlorobenzene dihydrodiol dehydrogenase-catalyzed rearomatization

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