5-Chloro-2-hydroxybenzonitrile

Basic Information

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CAS Number

13589-72-5

Molecular Formula

C7H4ClNO

Molecular Weight

142.59 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

166-167 ºC

Boiling Point

269.4±25.0 ºC (760 Torr),

Flash Point

116.7±23.2 ºC,

SMILES

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C1=CC(=C(C=C1Cl)C#N)O

InChI

InChI=1S/C7H4ClNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H

InChIKey

XWQDMIXVAYAZGB-UHFFFAOYSA-N

LogP

2.3540200000000002

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

162

Synonyms & References

English

A886921
DTXSID00380516
Benzonitrile, 5-chloro-2-hydroxy-
4-chloro-2-cyanophenol
AKOS000313174
Benzonitrile,5-chloro-2-hydroxy-
FS-1810
SCHEMBL584161
2-cyano-4-chloro-phenol
5-chloro-2-hydroxybenzonitrile, AldrichCPR
5-chloro-2-hydroxybenzonitrile
XWQDMIXVAYAZGB-UHFFFAOYSA-N
5-chloro-2-hydroxy-benzonitrile
Q27455337
13589-72-5
5-Chlorosalicylonitrile
AC-23050
2-cyano-4-chlorophenol
J-514930
Benzonitrile, 5-?chloro-?2-?hydroxy-
CS-0043964
FT-0620253
MFCD00219003
4ZC
EN300-126809
AMY28369
BP-10147
SY063996
5-Chloro-2-hydroxybenzonitrile
4-Chloro-2-cyanophenol
2-Cyano-4-chlorophenol

MDL Number

MFCD00219003

Customs Code

2926909090

FAQ

What is 5-Chloro-2-hydroxybenzonitrile (CAS: 13589-72-5)?

5-Chloro-2-hydroxybenzonitrile (CAS: 13589-72-5) is an organic compound with the chemical formula C7H5ClNO2. It is a white crystalline solid with a distinctive odor. This compound is used in the production of various pharmaceuticals, dyes, and other chemical intermediates due to its chemical properties.

What are the main uses of 5-Chloro-2-hydroxybenzonitrile (CAS: 13589-72-5)?

5-Chloro-2-hydroxybenzonitrile (CAS: 13589-72-5) is primarily used as a chemical intermediate in the pharmaceutical and dye industries. It serves as a key building block for synthesizing various pharmaceutical compounds and organic dyes. Additionally, it is used in research for developing new materials and compounds.

Is 5-Chloro-2-hydroxybenzonitrile (CAS: 13589-72-5) safe?

5-Chloro-2-hydroxybenzonitrile (CAS: 13589-72-5) is generally considered safe when handled with proper precautions. While it is not highly toxic, it can cause skin and eye irritation if not handled carefully. It is important to follow safety guidelines, including the use of personal protective equipment, to ensure safe handling and storage.

How should 5-Chloro-2-hydroxybenzonitrile (CAS: 13589-72-5) be stored?

5-Chloro-2-hydroxybenzonitrile (CAS: 13589-72-5) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. The storage temperature should not exceed 25°C, and the relative humidity should be kept below 50%. Additionally, it should be stored in a well-ventilated area to minimize the risk of inhalation exposure.