2-Chloro-3-hydroxybenzonitrile

Name: 2-Chloro-3-hydroxybenzonitrile
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CAS No. 51786-11-9
Cat. No. CS-W021640
Purity≥97%
MDL No.MFCD11848763

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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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2-Chloro-3-hydroxybenzonitrile|CS-W021640

Structure of 51786-11-9

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Description

2-Chloro-3-hydroxybenzonitrile features a hydroxyl group ortho to a nitrile, flanked by a chlorine substituent, enabling selective functionalization in heterocyclic synthesis. This electron-deficient aromatic scaffold supports efficient coupling reactions under mild conditions and exhibits enhanced solubility in polar aprotic solvents.

Application

2-Chloro-3-hydroxybenzonitrile serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the hydroxyl and nitrile groups. Its ortho-chloro substituent facilitates subsequent cross-coupling reactions, while the phenolic OH offers sites for derivatization or protection. The molecule exhibits good bench stability and compatibility with standard purification techniques, making it suitable for use in multi-step syntheses of heterocyclic scaffolds and API intermediates.

General Information

CAS No. 51786-11-9
Cat. No. CS-W021640
Purity ≥97%
MDL No. MFCD11848763
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄ClNO
Molecular Weight 153.57
Synonym(s) Benzonitrile, 2-chloro-3-hydroxy-
SMILES OC1=CC=CC(C#N)=C1Cl

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

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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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2-Chloro-3-hydroxybenzonitrile

CAS No. 51786-11-9

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