3-Chloro-4-nitrobenzene-1-sulfonyl chloride

Name: 3-Chloro-4-nitrobenzene-1-sulfonyl chloride
Brand: ChemScene
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CAS No. 64835-30-9
Cat. No. CS-0157038
Purity≥95%
MDL No.MFCD04973767

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Excepted Quantity	$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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3-Chloro-4-nitrobenzene-1-sulfonyl chloride|CS-0157038

Structure of 64835-30-9

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General Information

CAS No. 64835-30-9
Cat. No. CS-0157038
Purity ≥95%
MDL No. MFCD04973767
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₃Cl₂NO₄S
Molecular Weight 256.07
Synonym(s) 3-Chloro-4-Nitrobenzenesulfonyl Chloride
SMILES C1=CC(=C(C=C1S(=O)(=O)Cl)Cl)[N+](=O)[O-]

Description

3-Chloro-4-nitrobenzene-1-sulfonyl chloride features a dual-functional architecture combining a reactive sulfonyl chloride group with electron-withdrawing chlorine and nitro substituents. This configuration enhances electrophilicity for efficient coupling reactions in synthetic routes to functionalized sulfonamides, particularly in pharmaceutical intermediates and agrochemical development under standard bench conditions.

Application

3-Chloro-4-nitrobenzene-1-sulfonyl chloride serves as a versatile building block for sulfonamide synthesis, enabling efficient introduction of electron-deficient sulfonyl groups into pharmaceutical and agrochemical scaffolds. Its reactivity profile facilitates nucleophilic substitution with amines under mild conditions, offering high functional group tolerance and straightforward purification. The molecule's bench stability and compatibility with standard coupling protocols make it well-suited for iterative synthetic workflows in medicinal chemistry and process development.

Safety Information

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

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Computational Chemistry Data

TPSA 77.28
LogP 2.1757
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 2

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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3-Chloro-4-nitrobenzene-1-sulfonyl chloride

CAS No. 64835-30-9

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