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35826

Supelco

4-Chlorophenol

PESTANAL®, analytical standard

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Linear Formula:
ClC6H4OH
CAS Number:
106-48-9
Molecular Weight:
128.56
Beilstein:
507004
EC Number:
203-402-6
MDL number:
MFCD00002318
UNSPSC Code:
41116107
PubChem Substance ID:
329755221
NACRES:
NA.24

grade

analytical standard

Quality Level

100

vapor pressure

1 mmHg ( 49.8 °C)

product line

PESTANAL®

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

bp

220 °C (lit.)

mp

42-45 °C

density

1.306 g/mL at 25 °C (lit.)

application(s)

agriculture
environmental
forensics and toxicology
pharmaceutical (small molecule)

format

neat

SMILES string

Oc1ccc(Cl)cc1

InChI

1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H

InChI key

WXNZTHHGJRFXKQ-UHFFFAOYSA-N

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Application

4-Chlorophenol may be used as an analytical reference standard for the determination of the analyte in environmental water, soil and in emissions of waste incineration plant by various chromatography methods.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Caution

Hygroskopic

Other Notes

Ion Mobility: TWCCSN2 value of 118.8 Å2 [M-H]-

The collision cross section (CCS) measurement was provided by Waters Corporation, using the SYNAPT XS mass spectrometer.
For a description and overview of how ion mobility enables the measurement of the CCS of an ion visit ims.waters.com.
Further information on the SYNAPT XS mass spectrometer can be found on the IMS microsite and product webpage.

TWCCS measurements are expected to be within 2% of this reference value.

P/N 35826 is part of the Waters Extractables & Leachables UNIFI scientific library which can be downloaded from Waters Marketplace.

Legal Information

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

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Dam. 1 - Skin Corr. 1B

WGK

WGK 2

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Determination of chlorophenols in soils using accelerated solvent extraction combined with solid-phase microextraction.
Wennrich L, et al.
Analytical Chemistry, 72(3), 546-551 (2000)
Direct determination of chlorophenols in environmental water samples by hollow fiber supported ionic liquid membrane extraction coupled with high-performance liquid chromatography.
Peng JF, et al.
Journal of Chromatography A, 1139(2), 165-170 (2007)
Identification and quantification of volatile organic components in emissions of waste incineration plants.
Jay K and Stieglitz L
Chemosphere, 30(7), 1249-1260 (1995)
Ayyappan Ramakrishnan et al.
Chemical communications (Cambridge, England), 48(68), 8556-8558 (2012-07-21)
Benzene can be activated by visible light (λ > 455 nm) in the presence of TiO(2), which leads to formation of carbonaceous polymeric deposits on the titania surface. These photosynthesized surface-modified materials exhibit enhanced photoactivity in degradation of phenolic compounds
Kais Elghniji et al.
Journal of environmental sciences (China), 24(3), 479-487 (2012-06-05)
A series of phosphorus-modified titanium dioxide samples with varying P/Ti atomic ratio were conveniently prepared via a conventional solgel route. The effects of phosphorus content and calcination temperature on the crystalline structure, grain growth, surface area, and the photocatalytic activity
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