2-Chloro-5-nitrobenzenesulfonyl chloride

Name: 2-Chloro-5-nitrobenzenesulfonyl chloride
Brand: ChemScene
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CAS No. 4533-95-3
Cat. No. CS-W009302
Purity≥96%
MDL No.MFCD00129813

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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-nitrobenzenesulfonyl chloride|CS-W009302

Structure of 4533-95-3

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Description

2-Chloro-5-nitrobenzenesulfonyl chloride features a sulfonyl chloride group flanked by electron-withdrawing chloro and nitro substituents, enabling selective acylation in synthetic routes. This configuration enhances reactivity while maintaining stability under standard handling conditions, making it ideal for constructing complex aromatic architectures in pharmaceutical and agrochemical development.

Application

2-Chloro-5-nitrobenzenesulfonyl chloride serves as a versatile sulfonylating agent in organic synthesis, enabling the efficient introduction of sulfonamide functionalities under mild conditions. Its reactivity is enhanced by the electron-withdrawing nitro group, which facilitates nucleophilic substitution at the sulfonyl center. The molecule exhibits good bench stability and enables straightforward purification, making it well-suited for use in the construction of heterocyclic scaffolds and functionalized intermediates relevant to medicinal chemistry and agrochemical development.

General Information

CAS No. 4533-95-3
Cat. No. CS-W009302
Purity ≥96%
MDL No. MFCD00129813
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₃Cl₂NO₄S
Molecular Weight 256.06
Synonym(s) tianfu-chem-2-Chloro-5-nitro-benzenesulfonyl chloride,4533-95-3
SMILES O=S(C1=CC([N+]([O-])=O)=CC=C1Cl)(Cl)=O

Computational Chemistry Data

TPSA 77.28
LogP 2.1757
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 2

Safety Information

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GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 3261
Class : 8	Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-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-nitrobenzenesulfonyl chloride

CAS No. 4533-95-3

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