2-Bromo-3-hydroxybenzonitrile

Name: 2-Bromo-3-hydroxybenzonitrile
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CAS No. 693232-06-3
Cat. No. CS-W019320
Purity≥98%
MDL No.MFCD09266204

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Excepted Quantity	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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2-Bromo-3-hydroxybenzonitrile|CS-W019320

Structure of 693232-06-3

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General Information

CAS No. 693232-06-3
Cat. No. CS-W019320
Purity ≥98%
MDL No. MFCD09266204
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄BrNO
Molecular Weight 198.02
Synonym(s) 2-Bromo-3-hydroxybenzonitrle
SMILES OC1=CC=CC(C#N)=C1Br

Description

2-Bromo-3-hydroxybenzonitrile features a bromine atom at the ortho position relative to the nitrile group, with a hydroxyl substituent at the adjacent carbon. This combination imparts enhanced reactivity in cross-coupling processes and facilitates downstream functionalization. The molecule exhibits stability under standard bench conditions and offers direct access to complex heterocyclic scaffolds in medicinal chemistry applications.

Application

2-Bromo-3-hydroxybenzonitrile serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the ortho position relative to the nitrile group. The bromine atom facilitates palladium-catalyzed cross-coupling reactions, while the hydroxyl group offers a handle for derivatization or protection. Its stability under standard bench conditions and compatibility with common reaction protocols make it a practical choice for constructing substituted benzene scaffolds in API development.

Safety Information

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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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Computational Chemistry Data

TPSA 44.02
LogP 2.02638
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

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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2-Bromo-3-hydroxybenzonitrile

CAS No. 693232-06-3

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