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Merck
CN

36695

2-Chlorotoluene

PESTANAL®, analytical standard

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About This Item

Linear Formula:
CH3C6H4Cl
CAS Number:
95-49-8
Molecular Weight:
126.58
UNSPSC Code:
41116107
PubChem Substance ID:
329755459
eCl@ss:
39050205
EC Number:
202-424-3
Beilstein/REAXYS Number:
1904175
MDL number:
MFCD00000562

Key Documents

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grade

analytical standard

vapor density

4.38 (vs air)

vapor pressure

10 mmHg ( 43 °C)

product line

PESTANAL®

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

refractive index

n20/D 1.525 (lit.)

bp

157-159 °C (lit.)

mp

−36 °C (lit.)

solubility

H2O: slightly soluble 0.047 g/L at 20 °C

density

1.083 g/mL at 25 °C (lit.)

application(s)

agriculture
environmental

format

neat

SMILES string

Cc1ccccc1Cl

InChI

1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3

InChI key

IBSQPLPBRSHTTG-UHFFFAOYSA-N

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Legal Information

PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

signalword

Warning

Hazard Classifications

Acute Tox. 4 Inhalation - Aquatic Acute 1 - Aquatic Chronic 2 - Flam. Liq. 3 - Repr. 2

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

109.4 °F - closed cup

flash_point_c

43 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCBT4912

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M Govindarajan et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 77(5), 1005-1013 (2010-09-28)
In this work, the vibrational spectral analysis was carried out using Raman and infrared spectroscopy in the range 100-4000 cm(-1) and 50-4000 cm(-1), respectively, for the title molecules. The molecular structure, fundamental vibrational frequencies and intensity of the vibrational bands
2-Chlorotoluene metabolism by rats.
G B Quistad et al.
Journal of agricultural and food chemistry, 31(6), 1158-1162 (1983-11-01)
Katrin Pollmann et al.
Microbiology (Reading, England), 149(Pt 4), 903-913 (2003-04-11)
The tetrachlorobenzene dioxygenase (TecA) of Ralstonia sp. PS12 carries out the first step in the aerobic biodegradation of chlorinated toluenes. Besides dioxygenation of the aromatic ring of 4-chloro-, 2,4-, 2,5- and 3,4-dichlorotoluene as the main reaction, it also catalyses mono-oxygenation
Katrin Pollmann et al.
Journal of bacteriology, 187(7), 2332-2340 (2005-03-19)
To elucidate possible reasons for the recalcitrance of 2-chlorotoluene, the metabolism of chloromethylcatechols, formed after dioxygenation and dehydrogenation by Ralstonia sp. strain PS12 tetrachlorobenzene dioxygenase and chlorobenzene dihydrodiol dehydrogenase, was monitored using chlorocatechol dioxygenases and chloromuconate cycloisomerases partly purified from
M A Haro et al.
Journal of biotechnology, 85(2), 103-113 (2001-02-13)
In this article, we illustrate the challenges and bottlenecks in the metabolic engineering of bacteria destined for environmental bioremediation, by reporting current efforts to construct Pseudomonas strains genetically designed for degradation of the recalcitrant compound 2-chlorotoluene. The assembled pathway includes
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Global Trade Item Number

SKUGTIN
110107000504022536121536
A92775-5G04061832340029
A92775-1G04061833401903
A92775-10G04061833401712

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