35826

4-Chlorophenol

PESTANAL^®, analytical standard

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

Properties

• 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

Description

Application

4-Chlorophenol may be used as an analytical reference standard for the determination of the analyte in environmental water,[1] soil[2] and in emissions of waste incineration plant[3] 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: ^TWCCS_N2 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

Safety Information

• pictograms: GHS05,GHS07,GHS09
• signalword: Danger
• hcodes: H302 + H312 + H332,H314,H411
• pcodes: P260 - P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Dam. 1 - Skin Corr. 1B
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 2
• flash_point_f: 249.8 °F - closed cup
• flash_point_c: 121 °C - closed cup
• ppe: dust mask type N95 (US), Eyeshields, Gloves