1-Chloroisoquinoline-5-sulfonyl chloride

Name: 1-Chloroisoquinoline-5-sulfonyl chloride
Brand: ChemScene
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CAS No. 141519-77-9
Cat. No. CS-0090429
Purity≥97%
MDL No.MFCD11052630

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FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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1-Chloroisoquinoline-5-sulfonyl chloride|CS-0090429

Structure of 141519-77-9

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Description

1-Chloroisoquinoline-5-sulfonyl chloride features a reactive sulfonyl chloride group appended to an isoquinoline scaffold, enabling direct incorporation into pharmaceutical intermediates. The electron-deficient heterocycle enhances electrophilic reactivity, while the chloro substituent provides orthogonal functionalization potential. This compound serves as a key building block for targeted conjugation in medicinal chemistry and materials synthesis.

Application

1-Chloroisoquinoline-5-sulfonyl chloride serves as a versatile electrophilic sulfonylating agent, enabling efficient introduction of the sulfonamide moiety into diverse nucleophiles. Its reactivity is well-documented in constructing isoquinoline-based scaffolds relevant to medicinal chemistry and agrochemical development. The molecule exhibits good bench stability and facilitates straightforward purification, making it suitable for use in multi-step synthesis workflows requiring functional group tolerance and predictable regioselectivity.

General Information

CAS No. 141519-77-9
Cat. No. CS-0090429
Purity ≥97%
MDL No. MFCD11052630
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₅Cl₂NO₂S
Molecular Weight None
Synonym(s) 1-chloro-isoquinolin-5-sulfonyl chloride
SMILES O=S(C1=CC=CC2=C1C=CN=C2Cl)(Cl)=O

Computational Chemistry Data

TPSA 47.03
LogP 2.8157
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 1759
Class : 8	Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Isoquinoline compounds

Key Words

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1-Chloroisoquinoline-5-sulfonyl chloride

CAS No. 141519-77-9

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