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185787

Sigma-Aldrich

4-Chlorophenol

≥99%

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Synonym(s):
4-Chlorophenol, 4-Hydroxychlorobenzene, p-Chlorophenic acid, p-Chlorophenol
Linear Formula:
ClC6H4OH
CAS Number:
106-48-9
Molecular Weight:
128.56
Beilstein:
507004
EC Number:
203-402-6
MDL number:
MFCD00002318
UNSPSC Code:
12352100
PubChem Substance ID:
24851180
NACRES:
NA.22

vapor pressure

1 mmHg ( 49.8 °C)

Quality Level

200

Assay

≥99%

form

solid

impurities

<1.0% Phenol

bp

220 °C (lit.)

mp

42-45 °C

solubility

ethanol: soluble 50 mg/mL, clear to very slightly hazy, colorless to faintly brownish-yellow

density

1.306 g/mL at 25 °C (lit.)

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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General description

4-Chlorophenol undergoes dechlorination to phenol rapidly on palladized graphite electrodes. Mechanism of 4-chlorophenol oxidation has been investigated by radiolytic and photocatalytic techniques.

Application

4-Chlorophenol was used:
  • As a substrate in the visible-light-induced degradation studies of phenolic compounds in an aqueous suspension of pure TiO2.
  • As a model chlorinated organic pollutant in the hydrodechlorination studies of phenols using palladium nanocrystal catalysts.
  • To prepare 4-chlorocatechol, hydroquinone, and benzoquinone via photo mineralization using Degussa P25 TiO2.

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)

249.8 °F

Flash Point(C)

121 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

Certificates of Analysis (COA)

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Photomineralisation of 4-chlorophenol sensitised by TiO2 thin films
Mills A and Wang J
Journal of Photochemistry and Photobiology A: Chemistry, 118, 53-63 (1998)
Aqueous-phase hydrodechlorination of 4-chlorophenol on palladium nanocrystals: Identifying the catalytic sites and unraveling the reaction mechanism
Ding X, et al.
J. Catal., 368, 336-344 (2018)
Radiolytic and TiO2-assisted photocatalytic degradation of 4-chlorophenol. A comparative study.
Stafford U, et al.
The Journal of Physical Chemistry, 98(25), 6343-6351 (1994)
Soonhyun Kim et al.
The journal of physical chemistry. B, 109(11), 5143-5149 (2006-07-26)
The visible-light-induced degradation reaction of 4-chlorophenol (4-CP) was investigated in aqueous suspension of pure TiO2. Contrary to common expectations, 4-CP could be degraded under visible illumination (lambda > 420 nm), generating chlorides and CO2 concomitantly. The observed visible reactivity was
Visible-light-induced photocatalytic degradation of 4-chlorophenol and phenolic compounds in aqueous suspension of pure titania: demonstrating the existence of a surface-complex-mediated path
Kim S and Choi W
The Journal of Physical Chemistry B, 109, 5143-5149 (2005)
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