3-Chloro-5-cyanobenzene-1-sulfonyl chloride

Name: 3-Chloro-5-cyanobenzene-1-sulfonyl chloride
Brand: ChemScene
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CAS No. 1131397-77-7
Cat. No. CS-0416199
Purity≥98%
MDL No.MFCD18392429

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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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+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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3-Chloro-5-cyanobenzene-1-sulfonyl chloride|CS-0416199

Structure of 1131397-77-7

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General Information

CAS No. 1131397-77-7
Cat. No. CS-0416199
Purity ≥98%
MDL No. MFCD18392429
Storage 4°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃Cl₂NO₂S
Molecular Weight 236.08
Synonym(s) 3-chloro-5-cyanophenylsulfonyl chloride
SMILES O=S(C1=CC(C#N)=CC(Cl)=C1)(Cl)=O

Description

3-Chloro-5-cyanobenzene-1-sulfonyl chloride features a sulfonyl chloride group flanked by electron-withdrawing chlorine and cyano substituents, enhancing reactivity in nucleophilic aromatic substitution. This highly functionalized arylsulfonyl chloride enables efficient coupling with amines and alcohols under mild conditions, delivering sulfonamide and sulfonate derivatives with high regioselectivity. The molecule exhibits excellent stability during storage and handling, making it suitable for use in pharmaceutical intermediates and advanced material synthesis.

Application

3-Chloro-5-cyanobenzene-1-sulfonyl chloride serves as a versatile building block for sulfonamide synthesis, enabling efficient introduction of both sulfonyl and cyano functionalities. Its reactivity facilitates coupling with amines under mild conditions, offering high yields and operational simplicity. The chloro substituent provides additional sites for further functionalization via nucleophilic substitution, enhancing its utility in constructing complex heterocyclic scaffolds and medicinal chemistry intermediates.

Safety Information

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GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 3261
Class : 8	Packing Group : Ⅱ
Hazard Statements : H302-H314
Precautionary Statements : P280-P304+P340

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Computational Chemistry Data

TPSA 57.93
LogP 2.13918
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Chloro-5-cyanobenzene-1-sulfonyl chloride

CAS No. 1131397-77-7

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