5-Bromo-4-chloro-2-nitrophenol

Name: 5-Bromo-4-chloro-2-nitrophenol
Brand: ChemScene
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CAS No. 855400-82-7
Cat. No. CS-0103250
Purity≥97%
MDL No.MFCD22383651

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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+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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5-Bromo-4-chloro-2-nitrophenol|CS-0103250

Structure of 855400-82-7

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General Information

CAS No. 855400-82-7
Cat. No. CS-0103250
Purity ≥97%
MDL No. MFCD22383651
Storage RT, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₃BrClNO₃
Molecular Weight 252.45
Synonym(s) None
SMILES OC1=CC(Br)=C(Cl)C=C1[N+]([O-])=O

Description

5-Bromo-4-chloro-2-nitrophenol features a highly electron-deficient aromatic core, enabling efficient coupling in cross-coupling reactions. The ortho-nitro and halogen substituents facilitate direct functionalization, while the phenolic hydroxyl group offers a handle for derivatization. This compound demonstrates robust stability under standard bench conditions.

Application

5-Bromo-4-chloro-2-nitrophenol serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling selective functionalization via palladium-catalyzed cross-coupling reactions. Its ortho-directing nitro group facilitates regioselective substitutions, while the bromo and chloro substituents offer complementary reactivity for sequential transformations. The compound exhibits good bench stability and is amenable to standard purification methods, making it well-suited for iterative synthesis workflows.

Safety Information

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GHS Pictogram :	GHS No : GHS05,GHS07,GHS09
Signal Word : Danger	UN#: 3077
Class : 9	Packing Group : Ⅲ
Hazard Statements : H302-H315-H317-H318-H410
Precautionary Statements : P261-P264-P270-P272-P273-P280-P302+P352-P330-P362+P364-P391-P501

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Computational Chemistry Data

TPSA 63.37
LogP 2.7163
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Nitro compounds

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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5-Bromo-4-chloro-2-nitrophenol

CAS No. 855400-82-7

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