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36697

4-Chlorotoluene

Name: 4-Chlorotoluene
Brand: SIAL

PESTANAL^®, analytical standard

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About This Item

Linear Formula:

CH₃C₆H₄Cl

CAS Number:

106-43-4

Molecular Weight:

126.58

EC Number:

203-397-0

UNSPSC Code:

41116107

PubChem Substance ID:

329755461

Beilstein/REAXYS Number:

1903635

MDL number:

MFCD00000631

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grade

analytical standard

Quality Level

100

vapor density

4.38 (vs air)

vapor pressure

10 mmHg ( 45 °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 1.52 (lit.)

bp

162 °C (lit.)

mp

6-8 °C (lit.)

density

1.07 g/mL at 25 °C (lit.)

application(s)

agriculture
environmental

format

neat

SMILES string

Cc1ccc(Cl)cc1

InChI

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

InChI key

NPDACUSDTOMAMK-UHFFFAOYSA-N

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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

pictograms

GHS02,GHS07,GHS09

signalword

Warning

hcodes

H226,H317,H332,H411

pcodes

P210 - P233 - P273 - P280 - P303 + P361 + P353 - P304 + P340 + P312

Hazard Classifications

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

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

123.8 °F - closed cup

flash_point_c

51 °C - closed cup

ppe

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

Regulatory Information

危险化学品

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Certificates of Analysis (COA)

Lot/Batch Number

BCBW5099

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Effects of p-chlorotoluene (PCT) on rat lung and liver benzo[a]pyrene metabolism and microsomal membrane structure and function.

T Zewdie et al.

Journal of toxicology and environmental health, 50(2), 159-172 (1997-02-07)

Treatment of rats with p-chlorotoluene (PCT, 1 g/kg, ip) resulted in peak PCT blood and lung concentrations at 4 h, which declined to very low levels at 12 h. The concentration of PCT in the liver attained its highest value

Vibrational spectroscopic (FT-IR and FT-Raman), first-order hyperpolarizablity, HOMO, LUMO, NBO, Mulliken charges and structure determination of 2-bromo-4-chlorotoluene.

C Arunagiri et al.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 79(5), 1747-1756 (2011-06-18)

The FT-IR and FT-Raman spectra of 2-bromo-4-chlorotoluene (2B4CT) molecule have been recorded in the region 4000-400 cm(-1) and 3500-50 cm(-1), respectively. Optimized geometrical structures, harmonic vibrational frequencies, intensities, reduced mass, force constants and depolarization ratio have been computed by the

Multireference calculations of the fluorescence, phosphorescence and photodissociation of p-chlorotoluene.

Ya-Jun Liu et al.

Physical chemistry chemical physics : PCCP, 7(23), 3938-3942 (2005-12-07)

Equilibrium geometries and vibrational frequencies of the ground and some excited states of p-chlorotoluene were calculated by the complete active space self-consistent field (CASSCF) method. Multi-reference CASSCF second order perturbation theory (MSCASPT2) calculations were performed on the vertical excitation energies

Biotransformations catalyzed by cloned p-cymene monooxygenase from Pseudomonas putida F1.

T Nishio et al.

Applied microbiology and biotechnology, 55(3), 321-325 (2001-05-09)

p-Cymene monooxygenase (CMO) from Pseudomonas putida F1 consists of a hydroxylase (CymA1) and a reductase component (CymA2) which initiate pcymene (p-isopropyltoluene) catabolism by oxidation of the methyl group to p-isopropylbenzyl alcohol (p-cumic alcohol). To study the possible diverse range of

Oxidation of p-chlorotoluene and cyclohexene catalysed by polymer-anchored oxovanadium(IV) and copper(II) complexes of amino acid derived tridentate ligands.

Mannar R Maurya et al.

Dalton transactions (Cambridge, England : 2003), (32)(32), 4220-4232 (2008-08-07)

3-Formylsalicylic acid (Hfsal), covalently bound to chloromethylated polystyrene (PS) and cross-linked with 5% divinylbenzene reacts with d,l-alanine and l-isoleucine to give the Schiff-base tridentate ligands PS-H(2)fsal-d,l-Ala and PS-H(2)fsal-l-Ile, respectively. These anchored ligands upon reaction with VOSO(4) and Cu(CH(3)COO)(2).H(2)O form the

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Global Trade Item Number

SKU	GTIN
B112-5MG	04061833420898
B112-25MG	04061832945330

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