3-Chloro-4-hydroxybenzonitrile

Name: 3-Chloro-4-hydroxybenzonitrile
Brand: ChemScene
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CAS No. 2315-81-3
Cat. No. CS-D0375
Purity≥97%
MDL No.MFCD01567246

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Structure of 2315-81-3

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Description

3-Chloro-4-hydroxybenzonitrile features a hydroxyl group flanked by chlorine and nitrile substituents on a benzene ring, enabling selective functionalization in pharmaceutical intermediates. This electron-deficient scaffold supports efficient coupling reactions under mild conditions and exhibits enhanced solubility in polar aprotic solvents compared to analogs lacking the hydroxyl moiety.

Application

3-Chloro-4-hydroxybenzonitrile serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the phenolic hydroxyl and ortho-chlorine positions. Its nitrile group facilitates downstream transformations such as amide formation or reduction to primary amines, while the hydroxyl group supports etherification or esterification. The molecule exhibits good bench stability and compatibility with standard coupling reactions, making it well-suited for constructing complex heterocyclic scaffolds and API intermediates.

General Information

CAS No. 2315-81-3
Cat. No. CS-D0375
Purity ≥97%
MDL No. MFCD01567246
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄ClNO
Molecular Weight 153.57
Synonym(s) 4-Cyano-2-chlorophenol; 3-Chloro-4-hydroxybenzonitrile
SMILES N#CC1=CC=C(O)C(Cl)=C1

Computational Chemistry Data

TPSA 44.02
LogP 1.91728
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Safety Information

Download SDS

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

Quality Control

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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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3-Chloro-4-hydroxybenzonitrile

CAS No. 2315-81-3

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