3-Bromo-2-methylbenzene-1-sulfonyl chloride

Name: 3-Bromo-2-methylbenzene-1-sulfonyl chloride
Brand: ChemScene
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CAS No. 886501-61-7
Cat. No. CS-0312318
Purity≥95%
MDL No.MFCD07782194

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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+
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3-Bromo-2-methylbenzene-1-sulfonyl chloride|CS-0312318

Structure of 886501-61-7

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General Information

CAS No. 886501-61-7
Cat. No. CS-0312318
Purity ≥95%
MDL No. MFCD07782194
Storage 4°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₆BrClO₂S
Molecular Weight 269.54
Synonym(s) Benzenesulfonyl chloride, 3-bromo-2-methyl-
SMILES O=S(C1=CC=CC(Br)=C1C)(Cl)=O

Description

3-Bromo-2-methylbenzene-1-sulfonyl chloride features a brominated, methyl-substituted benzene ring paired with a reactive sulfonyl chloride group. This configuration enables direct incorporation into sulfonamide architectures and facilitates selective derivatization in synthetic routes requiring electron-deficient aryl handles.

Application

3-Bromo-2-methylbenzene-1-sulfonyl chloride serves as a versatile building block for sulfonamide synthesis, enabling efficient introduction of the 3-bromo-2-methylbenzenesulfonyl group into pharmaceutical and agrochemical intermediates. Its reactivity is well-established in nucleophilic substitution reactions, particularly with amines and alcohols, offering high functional group tolerance and bench stability. The molecule facilitates straightforward purification and demonstrates broad compatibility in standard coupling workflows.

Synthesis

Route1
- 1182728-66-0
- ~%
- In-stock
  
  886501-61-7
References
- WO2009/103440 A1, ; Page/Page column 85 ; WO 2009/103440 A1
Route2
- 55289-36-6
- ~%
- In-stock
  
  886501-61-7
References
- ACS Medicinal Chemistry Letters, , vol. 2, # 8 p. 603 - 607

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 1759
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 34.14
LogP 2.68502
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Bromo-2-methylbenzene-1-sulfonyl chloride

CAS No. 886501-61-7

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