5-Bromo-3-chloro-2-hydroxybenzonitrile

Name: 5-Bromo-3-chloro-2-hydroxybenzonitrile
Brand: ChemScene
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CAS No. 1260810-06-7
Cat. No. CS-0527215
Purity≥97%
MDL No.MFCD16249641

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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5-Bromo-3-chloro-2-hydroxybenzonitrile|CS-0527215

Structure of 1260810-06-7

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General Information

CAS No. 1260810-06-7
Cat. No. CS-0527215
Purity ≥97%
MDL No. MFCD16249641
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃BrClNO
Molecular Weight None
Synonym(s) None
SMILES N#CC1=CC(Br)=CC(Cl)=C1O

Description

5-Bromo-3-chloro-2-hydroxybenzonitrile features a unique trifunctional aromatic core with bromo, chloro, hydroxy, and nitrile groups in close proximity. This electron-deficient scaffold enables selective coupling reactions under mild conditions, facilitating rapid access to complex heterocycles. The hydroxy group enhances solubility and serves as a handle for derivatization, while the nitrile moiety offers synthetic versatility. Bench-stable and moisture-tolerant, this compound streamlines late-stage functionalization in medicinal chemistry and materials synthesis.

Application

5-Bromo-3-chloro-2-hydroxybenzonitrile serves as a versatile building block in medicinal chemistry, enabling the construction of substituted heterocycles via nucleophilic aromatic substitution or transition-metal-catalyzed coupling. The hydroxyl group facilitates downstream derivatization, while the nitrile and halogen functionalities offer orthogonal reactivity for further functionalization. Bench-stable and compatible with standard purification protocols, it supports scalable synthesis of complex scaffolds.

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 2.67978
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

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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5-Bromo-3-chloro-2-hydroxybenzonitrile

CAS No. 1260810-06-7

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