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C62794

Sigma-Aldrich

2-Chlorophenol

98%

Synonym(s):

o-Chlorophenol

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About This Item

Linear Formula:
ClC6H4OH
CAS Number:
Molecular Weight:
128.56
Beilstein:
1905114
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level

Assay

98%

form

liquid

refractive index

n20/D 1.558 (lit.)

bp

175-176 °C (lit.)

mp

8 °C (lit.)

density

1.241 g/mL at 25 °C (lit.)

SMILES string

Oc1ccccc1Cl

InChI

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

InChI key

ISPYQTSUDJAMAB-UHFFFAOYSA-N

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1 of 4

This Item
308560499234128740
assay

97%

assay

98%

assay

98%

assay

97%

Quality Level

100

Quality Level

100

Quality Level

100

Quality Level

100

solubility

acetic acid: soluble 50 mg/mL, clear, colorless to faintly yellow

solubility

-

solubility

-

solubility

-

form

solid

form

powder

form

-

form

-

mp

183-186 °C (lit.)

mp

257-261 °C (lit.)

mp

30-34 °C (lit.)

mp

157-159 °C (lit.)

functional group

chloro

functional group

chloro

functional group

ketone

functional group

-

Application

2-Chlorophenol is used to synthesize various organic intermediates and compounds including several polycyclic aromatic hydrocarbons and pharmacologically active molecules.[1][2][3] It is used as a precursor to synthesize polychlorinated dibenzo p-dioxins and dibenzofurans (PCDD/Fs).[4]

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

Storage Class Code

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

WGK

WGK 2

Flash Point(F)

147.2 °F - closed cup

Flash Point(C)

64.0 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Influence of chlorine-substitution in pyrimidine ring on proton donor ability in H-bond and parameters of amino group of 2-amino pyrimidine.
Borisenko VE, et al.
Vibrational Spectroscopy, 37(1), 97-109 (2005)
T Jayavarthanan et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 97, 811-824 (2012-08-21)
The solid phase FTIR and FT-Raman spectra of 2-amino-4-chloro-6-methylpyrimidine (2A4Cl6MP) have been recorded in the regions 400-4000 and 50-4,000 cm(-1), respectively. The spectra have been interpreted interms of fundamentals modes, combination and overtone bands. The structure of the molecule has
J A Hutter et al.
Biochemistry, 26(7), 1969-1973 (1987-04-07)
Thiaminase I from Bacillus thiaminolyticus strain Matsukawa et Misawa is completely and irreversibly inhibited by treatment with 4-amino-6-chloro-2-methylpyrimidine. Inhibition is a time-dependent first-order process, exhibiting a half-time of 4 h at an inhibitor concentration of 5 mM. A specific active-site-directed
Effects of nitrification inhibitors on denitrification of nitrate in soil.
Bremner JM andYeomans JC.
Biology and Fertility of Soils, 2(4), 173-179 (1986)
Christer B Aakeröy et al.
Pharmaceutics, 3(3), 601-614 (2011-01-01)
In the pharmaceutical industry, co-crystals are becoming increasingly valuable as crystalline solids that can offer altered/improved physical properties of an active pharmaceutical ingredient (API) without changing its chemical identity or biological activity. In order to identify new solid forms of

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