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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

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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)
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)
Neng-Chou Shang et al.
Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering, 37(2), 261-271 (2002-02-16)
This study investigates the variation of toxicity during ozonation of 2-chlorophenol (2-CP), 3-chlorophenol (3-CP) and 4-chlorophenol (4-CP) in neutral condition. Acute toxicity of pure chlorophenols (CPs) and their ozonated intermediates was evaluated by Microtox assay. The results revealed that the
S H Lin et al.
Waste management (New York, N.Y.), 22(6), 595-603 (2002-09-07)
Experimental investigations were conducted on the adsorption characteristics of phenol and m-chlorophenol by organobentonites. The organobentonites were prepared by modifying natural bentonite with various quaternary ammonium salts including tetramethylammonium bromide, hexadecyltrimethylammonium bromide, benzyl-triethylammonium bromide, tetraethylammonium bromide and cetylpyridinium bromide. 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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