5-Chloro-2-methylbenzene-1-sulfonyl chloride

Name: 5-Chloro-2-methylbenzene-1-sulfonyl chloride
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CAS No. 34981-38-9
Cat. No. CS-W014219
Molecule weight225.08
Purity≥98%
MDL No.MFCD09742738

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Type	HazMat Fee
Excepted Quantity	$0.00
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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5-Chloro-2-methylbenzene-1-sulfonyl chloride|CS-W014219

Structure of 34981-38-9

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General Information

CAS No. 34981-38-9
Cat. No. CS-W014219
Purity ≥98%
MDL No. MFCD09742738
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₆Cl₂O₂S
Molecular Weight 225.08
Synonym(s) 5-Chloro-2-methylbenzenesulfonyl chloride
SMILES O=S(C1=CC(Cl)=CC=C1C)(Cl)=O

Description

4,5-Difluoro-2-nitrobenzoic acid is a synthetic organic compound that has been shown to be an inhibitor of copper oxide enzymes. It can inhibit nucleophilic substitutions and enzyme activity in the nucleophile sequence. The molecule is insoluble in water and soluble in organic solvents such as acetone and chloroform. 4,5-Difluoro-2-nitrobenzoic acid is synthesized by a solid-phase synthesis method using halides as starting materials. Fluorine reacts with nitrobenzoic acid to form 4,5-difluoro-2-nitrobenzoic acid, which then undergoes hydrolysis to release ammonia gas.

Synthesis

Route1
- 95-79-4
- ~%
- In-stock
  
  34981-38-9
References
- US4566898 A1, ;
Route2
- 106-43-4
- ~53%
- In-stock
  
  34981-38-9
References
- Kwon, Soon-Kyoung; Park, Myung-Sook Arzneimittel-Forschung/Drug Research, 1996 , vol. 46, # 10 p. 966 - 971

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 3265
Class : 8	Packing Group : Ⅱ
Hazard Statements : H314-H318
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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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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5-Chloro-2-methylbenzene-1-sulfonyl chloride

CAS No. 34981-38-9

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