3-Chloro-5-hydroxybenzonitrile

Basic Information

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CAS Number

473923-97-6

Molecular Formula

C7H4ClNO

Molecular Weight

153.56 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

No data available

Melting Point

168.0 to 172.0 deg-C

Boiling Point

265.4±25.0 °C at 760 mmHg

Density

1.415

Flash Point

114.3±23.2 °C

Refractive Index

1.611

SMILES

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C1=C(C=C(C=C1O)Cl)C#N

InChI

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

InChIKey

GHYUOOZZOMUNSY-UHFFFAOYSA-N

LogP

1.91728

Complexity

162

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

AC-6904
EN300-192870
SY013122
MFCD11226540
Benzonitrile, 3-chloro-5-hydroxy-
AM20050252
DTXSID60620627
3-Chloro-5-hydroxybenzonitrile
CL8191
FS-2611
3-chloro-5-hydroxy-benzonitrile
AKOS005255725
473923-97-6
3-chloro-5-hydroxybenzonitrile, AldrichCPR
BB 0261190
FT-0647720
BCP27268
3-Chloro-5-cyanophenol
C2708
CS-W018943
SCHEMBL508208
J-512269
A1718
GHYUOOZZOMUNSY-UHFFFAOYSA-N
3-Chloro-5-hydroxy-benzonitrile
3-chloro-5-hydroxybenzenecarbonitrile
PubChem18502
KSC497O2J
WT525
STL555716
BBL101919

MDL Number

MFCD11226540

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 3-Chloro-5-hydroxybenzonitrile (CAS: 473923-97-6)?

3-Chloro-5-hydroxybenzonitrile is a crystalline solid with a molecular weight of approximately 194.58 g/mol. It has a high solubility in polar solvents like water and methanol. Chemically, it is highly reactive towards nucleophiles and can undergo substitution and addition reactions. It is also prone to hydrolysis under basic conditions.

How is 3-Chloro-5-hydroxybenzonitrile (CAS: 473923-97-6) typically synthesized?

3-Chloro-5-hydroxybenzonitrile is synthesized through a multi-step process involving chlorination of a hydroxybenzonitrile derivative. Commonly, a phenol derivative is nitrated first, followed by chlorination, and finally hydrolysis. This process often uses sulfuric acid and chlorine gas as reagents, with good selectivity and yield.

What industries use 3-Chloro-5-hydroxybenzonitrile (CAS: 473923-97-6)?

3-Chloro-5-hydroxybenzonitrile is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the polymer industry for the modification of polymers and in the semiconductor industry for the production of organic semiconductors and sensors.

What precautions should be taken when handling 3-Chloro-5-hydroxybenzonitrile (CAS: 473923-97-6)?

Proper personal protective equipment (PPE) is essential when handling 3-Chloro-5-hydroxybenzonitrile. Wear gloves, safety glasses, and a lab coat. Store it in a cool, well-ventilated area away from direct sunlight. Use a fume hood during handling to prevent inhalation. In case of spill, neutralize with an appropriate reagent and follow the safety data sheet (SDS) for disposal.