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Safety Information

145009

Sigma-Aldrich

2,4-Dichlorotoluene

99%

Synonym(s):

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

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About This Item

Linear Formula:
CH3C6H3Cl2
CAS Number:
95-73-8
Molecular Weight:
161.03
Beilstein:
1931691
EC Number:
202-445-8
MDL number:
MFCD00000583
UNSPSC Code:
12352100
PubChem Substance ID:
24848696
NACRES:
NA.22

Quality Level

100

Assay

99%

form

liquid

refractive index

n20/D 1.546 (lit.)

bp

200 °C (lit.)

density

1.246 g/mL at 25 °C (lit.)

functional group

chloro

SMILES string

Cc1ccc(Cl)cc1Cl

InChI

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

InChI key

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.

Pictograms

Environment
GHS09

Hazard Statements

H411

Precautionary Statements

P273 - P391 - P501

Hazard Classifications

Aquatic Chronic 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

174.2 °F

Flash Point(C)

79 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

145009-100G:
145009-250G:
145009-BULK:
145009-VAR:
145009-5G:
145009-1KG:

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Certificates of Analysis (COA)

Lot/Batch Number
STBK7196
STBK6106
STBK5773
STBK4128
STBJ3905

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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)
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
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
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
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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