3-Chloro-4-methylbenzene-1-sulfonyl chloride

Name: 3-Chloro-4-methylbenzene-1-sulfonyl chloride
Brand: ChemScene
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CAS No. 42413-03-6
Cat. No. CS-W013047
Purity≥97%
MDL No.MFCD00203987

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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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3-Chloro-4-methylbenzene-1-sulfonyl chloride|CS-W013047

Structure of 42413-03-6

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General Information

CAS No. 42413-03-6
Cat. No. CS-W013047
Purity ≥97%
MDL No. MFCD00203987
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₆Cl₂O₂S
Molecular Weight 225.08
Synonym(s) 3-Chloro-4-methylbenzenesulfonyl chloride
SMILES O=S(C1=CC=C(C)C(Cl)=C1)(Cl)=O

Description

3-Chloro-4-methylbenzene-1-sulfonyl chloride features a sulfonyl chloride group flanked by electron-withdrawing chlorine and electron-donating methyl substituents, enabling selective acylation in synthetic workflows. This balance enhances reactivity while maintaining stability under standard bench conditions.

Application

3-Chloro-4-methylbenzene-1-sulfonyl chloride serves as a versatile sulfonylating agent for the efficient introduction of sulfonamide groups into pharmaceutical and agrochemical intermediates. Its ortho-chloro and meta-methyl substituents enhance reactivity while maintaining bench stability, enabling selective transformations with amines under mild conditions. The product facilitates clean, high-yielding amide bond formation and is compatible with common protecting group strategies in complex molecule synthesis.

Synthesis

Route1
- 98-59-9
- ~%
- In-stock
  
  42413-03-6
References
- Ges.f.chem.Ind. Patent: DE133000 ;
Route2
- 98-34-0
- ~%
- In-stock
  
  42413-03-6
References
- I.G. Farbenind. Patent: DE565461 , 1929 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 18, p. 1817

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS05,GHS07
Signal Word : Danger	UN#: 3261
Class : 8	Packing Group : Ⅱ
Hazard Statements : H314-H317-H412
Precautionary Statements : P260-P261-P264-P272-P273-P280-P301+P330+P331-P302+P352-P304+P340-P362+P364-P363-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 34.14
LogP 2.57592
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Chloro-4-methylbenzene-1-sulfonyl chloride

CAS No. 42413-03-6

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