3-Chloro-5-(hydroxymethyl)benzonitrile

Name: 3-Chloro-5-(hydroxymethyl)benzonitrile
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CAS No. 1021871-35-1
Cat. No. CS-W000627
Molecule weight167.59
Purity≥96%
MDL No.MFCD18392447

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3-Chloro-5-(hydroxymethyl)benzonitrile|CS-W000627

Structure of 1021871-35-1

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General Information

CAS No. 1021871-35-1
Cat. No. CS-W000627
Purity ≥96%
MDL No. MFCD18392447
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆ClNO
Molecular Weight 167.59
Synonym(s) 3-Chloro-5-cyanobenzyl alcohol
SMILES ClC1=CC(C#N)=CC(CO)=C1

Description

3-Chloro-5-(hydroxymethyl)benzonitrile features a strategically positioned nitrile group flanked by chlorine and hydroxymethyl substituents, enabling direct functionalization in synthetic sequences. This electron-deficient aromatic scaffold supports efficient coupling reactions under mild conditions, offering a robust platform for medicinal chemistry and materials synthesis.

Application

3-Chloro-5-(hydroxymethyl)benzonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to functionalized aromatic scaffolds. The nitrile group facilitates nucleophilic addition and subsequent transformations, while the hydroxymethyl moiety offers direct handle for oxidation, etherification, or esterification. Its bench-stable nature and compatibility with standard coupling reactions make it well-suited for multi-step synthesis workflows.

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 44.02
LogP 1.70398
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

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-5-(hydroxymethyl)benzonitrile

CAS No. 1021871-35-1

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