4-Chloro-2-hydroxybenzonitrile

Name: 4-Chloro-2-hydroxybenzonitrile
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CAS No. 30818-28-1
Cat. No. CS-W022140
Molecule weight153.57
Purity≥97%
MDL No.MFCD00234255

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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4-Chloro-2-hydroxybenzonitrile|CS-W022140

Structure of 30818-28-1

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General Information

CAS No. 30818-28-1
Cat. No. CS-W022140
Purity ≥97%
MDL No. MFCD00234255
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄ClNO
Molecular Weight 153.57
Synonym(s) 5-Chloro-2-cyanophenol, 4-Chlorosalicylonitrile
SMILES N#CC1=CC=C(Cl)C=C1O

Description

4-Chloro-2-hydroxybenzonitrile features a hydroxyl group ortho to a nitrile moiety on a chlorinated benzene ring, enabling direct functionalization in synthetic sequences. This electron-deficient aromatic scaffold facilitates nucleophilic substitution and serves as a key intermediate in agrochemical and pharmaceutical synthesis.

Application

4-Chloro-2-hydroxybenzonitrile serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the phenolic hydroxyl and nitrile groups. Its ortho-hydroxyl and para-chloro substituents facilitate downstream coupling reactions, including Suzuki-Miyaura and nucleophilic substitution, with excellent bench stability and straightforward purification. Functions as a key intermediate in the synthesis of heterocyclic scaffolds and bioactive molecules.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 44.02
LogP 1.91728
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-Chloro-2-hydroxybenzonitrile

CAS No. 30818-28-1

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