2-Chloro-5-methoxy-4-nitrophenol

Name: 2-Chloro-5-methoxy-4-nitrophenol
Brand: ChemScene
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CAS No. 100959-51-1
Cat. No. CS-0179639
Purity≥97%
MDL No.MFCD18431954

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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+

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2-Chloro-5-methoxy-4-nitrophenol|CS-0179639

Structure of 100959-51-1

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Description

2-Chloro-5-methoxy-4-nitrophenol features a nitro group at the para position relative to the hydroxyl, enhancing electrophilic reactivity. The chloro and methoxy substituents provide orthogonal functional handles for downstream derivatization. This electron-deficient phenolic scaffold enables efficient coupling in cross-coupling and condensation reactions under mild conditions.

Application

2-Chloro-5-methoxy-4-nitrophenol serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of heterocyclic scaffolds via nucleophilic aromatic substitution. Its ortho-chloro and para-nitro groups provide complementary reactivity for sequential functionalization, while the phenolic hydroxyl and methoxy substituents offer handle points for derivatization. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for multi-step synthetic sequences in industrial R&D workflows.

General Information

CAS No. 100959-51-1
Cat. No. CS-0179639
Purity ≥97%
MDL No. MFCD18431954
Storage RT, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₆ClNO₄
Molecular Weight 203.58
Synonym(s) 2-chloro-5-methoxy-4-nitro-phenol
SMILES OC1=CC(OC)=C([N+]([O-])=O)C=C1Cl

Computational Chemistry Data

TPSA 72.6
LogP 1.9624
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 2

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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Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Chloro-5-methoxy-4-nitrophenol

CAS No. 100959-51-1

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