2-Methoxy-4-nitrobenzenesulfonyl chloride

Name: 2-Methoxy-4-nitrobenzenesulfonyl chloride
Brand: ChemScene
Availability: InStock
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CAS No. 21320-91-2
Cat. No. CS-0020112
Purity≥95%
MDL No.MFCD03094697

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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+
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2-Methoxy-4-nitrobenzenesulfonyl chloride|CS-0020112

Structure of 21320-91-2

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General Information

CAS No. 21320-91-2
Cat. No. CS-0020112
Purity ≥95%
MDL No. MFCD03094697
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₆ClNO₅S
Molecular Weight None
Synonym(s) 4-Nitro-2-methoxybenzenesulfonyl chloride; NSC 211731; 2-Methoxy-4-nitrobenzenesulphonyl chloride
SMILES O=S(C1=CC=C([N+]([O-])=O)C=C1OC)(Cl)=O

Description

2-Methoxy-4-nitrobenzenesulfonyl chloride features a reactive sulfonyl chloride group flanked by electron-withdrawing nitro and electron-donating methoxy substituents, enabling selective derivatization in synthetic organic chemistry. This balance enhances reactivity while maintaining stability under standard conditions.

Application

2-Methoxy-4-nitrobenzenesulfonyl chloride serves as a robust sulfonylating agent for amine functionalization, enabling efficient synthesis of sulfonamide derivatives under mild conditions. Its electron-withdrawing nitro group enhances reactivity while the methoxy substituent provides steric and electronic modulation, improving selectivity in complex molecule synthesis. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for use in medicinal chemistry workflows and API intermediate development.

Synthesis

Route1
- 100867-00-3
- ~%
- In-stock
  
  21320-91-2
References
- WO2004/72070 A1, ; Page 79-81 ; WO 2004/072070 A1

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 3261
Class : 8	Packing Group : Ⅱ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 86.51
LogP 1.5309
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Methoxy-4-nitrobenzenesulfonyl chloride

CAS No. 21320-91-2

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