5-Chloro-2-hydroxybenzonitrile

Name: 5-Chloro-2-hydroxybenzonitrile
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CAS No. 13589-72-5
Cat. No. CS-0043964
Purity≥97%
MDL No.MFCD00219003

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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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5-Chloro-2-hydroxybenzonitrile|CS-0043964

Structure of 13589-72-5

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Description

5-Chloro-2-hydroxybenzonitrile features a hydroxyl group ortho to a nitrile moiety on a chlorinated benzene ring, enabling direct participation in coupling reactions and metal coordination. This arrangement imparts enhanced solubility in polar solvents and stability under standard bench conditions, facilitating its use in synthetic intermediates for pharmaceuticals and agrochemicals.

Application

5-Chloro-2-hydroxybenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to substituted benzimidazoles, quinoline derivatives, and other heterocyclic scaffolds. The ortho-hydroxynitrile motif facilitates direct cyclization or transition-metal-catalyzed coupling reactions. Its bench-stable nature and tolerance to common functional groups support straightforward purification and scalability in multi-step syntheses.

General Information

CAS No. 13589-72-5
Cat. No. CS-0043964
Purity ≥97%
MDL No. MFCD00219003
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄ClNO
Molecular Weight 153.57
Synonym(s) 5-Chlorosalicylonitrile
SMILES OC1=C(C=C(Cl)C=C1)C#N

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

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5-Chloro-2-hydroxybenzonitrile

CAS No. 13589-72-5

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