3-Bromo-5-hydroxybenzonitrile

CAS No. 770718-92-8
Cat. No. CS-0028805
Purity≥95%
MDL No.None

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3-Bromo-5-hydroxybenzonitrile|CS-0028805

Structure of 770718-92-8

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Description

3-Bromo-5-hydroxybenzonitrile features a strategically positioned bromine atom and hydroxyl group flanking a nitrile moiety on a benzene ring, enabling direct functionalization in cross-coupling and derivatization reactions. This electron-deficient aromatic scaffold offers enhanced reactivity for pharmaceutical and agrochemical intermediates under standard conditions.

Application

3-Bromo-5-hydroxybenzonitrile serves as a versatile building block for the synthesis of bioactive heterocycles and pharmaceutical intermediates. The molecule combines a bromo group for late-stage functionalization via cross-coupling, a hydroxyl group amenable to derivatization or protection, and a nitrile moiety enabling transformation into carboxylic acids, amides, or amidines. Its bench-stable nature and compatibility with standard reaction conditions facilitate efficient multi-step synthesis in medicinal chemistry workflows.

General Information

CAS No. 770718-92-8
Cat. No. CS-0028805
Purity ≥95%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄BrNO
Molecular Weight 198.02
Synonym(s) 3-bromo-5-cyano-phenol
SMILES N#CC1=CC(O)=CC(Br)=C1

Computational Chemistry Data

TPSA 44.02
LogP 2.02638
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Safety Information

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GHS Pictogram :	GHS No : GHS05,GHS06
Signal Word : Danger	UN#: 3439
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301-H315-H318-H335-H412
Precautionary Statements : P261-P264-P270-P271-P273-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 Cyanide/Nitrile

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Bromo-5-hydroxybenzonitrile

CAS No. 770718-92-8

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