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Key Documents

C62808

Sigma-Aldrich

3-Chlorophenol

98%

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About This Item

Linear Formula:
ClC6H4OH
CAS Number:
Molecular Weight:
128.56
Beilstein:
1634401
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

98%

form

solid

refractive index

n20/D 1.563 (lit.)

bp

214 °C (lit.)

mp

31-34 °C (lit.)

density

1.218 g/mL at 25 °C (lit.)

SMILES string

Oc1cccc(Cl)c1

InChI

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

InChI key

HORNXRXVQWOLPJ-UHFFFAOYSA-N

Gene Information

rat ... Ar(24208)

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Application

3-Chlorophenol is generally used in building various polycyclic aromatic systems. It is also employed in palladium-catalyzed coupling reactions to synthesize aryl intermediates in synthetic organic chemistry.

Signal Word

Danger

Hazard Classifications

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

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 2

Flash Point(F)

248.0 °F - closed cup

Flash Point(C)

120 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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Synthesis of (+)?Antroquinonol and Analogues by Using Enantioselective Michael Reactions of Benzoquinone Monoketals.
Hsu C S and Fang J M
European Journal of Organic Chemistry, 2016(22), 3809-3816 (2016)
A Highly Versatile Catalyst System for the Cross?Coupling of Aryl Chlorides and Amines.
Lundgren R J, et al.
Chemistry?A European Journal , 16(6), 1983-1991 (2010)
Stefano M Marino et al.
Archives of biochemistry and biophysics, 505(1), 67-74 (2010-09-30)
Tyrosinase (Ty) is a copper-containing enzyme ubiquitously distributed in nature. In recent years, Ty has attracted interest as a potential detoxifying agent for xenobiotic compounds with phenolic structure. Among these, chlorophenols are particularly relevant pollutants, commonly found in waste waters.
Clarissa A Olivati et al.
Bioprocess and biosystems engineering, 32(1), 41-46 (2008-04-15)
Langmuir-Blodgett (LB) and layer-by-layer films (LbL) of a PPV (p-phenylenevinylene) derivative, an azo compound and tetrasulfonated phthalocyanines were successfully employed as transducers in an "electronic tongue" system for detecting trace levels of phenolic compounds in water. The choice of the
Catalytic direct arylation with aryl chlorides, bromides, and iodides: intramolecular studies leading to new intermolecular reactions.
Campeau LC, et al.
Journal of the American Chemical Society, 128(2), 581-590 (2006)

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