2-Chloro-5-nitrobenzenesulfonic acid

Name: 2-Chloro-5-nitrobenzenesulfonic acid
Brand: ChemScene
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CAS No. 96-73-1
Cat. No. CS-0335834
Purity≥98%
MDL No.None

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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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2-Chloro-5-nitrobenzenesulfonic acid|CS-0335834

Structure of 96-73-1

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General Information

CAS No. 96-73-1
Cat. No. CS-0335834
Purity ≥98%
MDL No. None
Storage 4°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₄ClNO₅S
Molecular Weight 237.62
Synonym(s) P-Nitrochlorobenzene-o-sulfonic acid
SMILES C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)Cl

Description

2-Chloro-5-nitrobenzenesulfonic acid features a strongly electron-deficient aromatic core, combining a chloro group and a nitro substituent at meta positions relative to the sulfonic acid. This configuration enhances its reactivity in electrophilic substitution and facilitates efficient coupling reactions in dye synthesis and pharmaceutical intermediates. The sulfonic acid moiety ensures high water solubility and provides a handle for salt formation and purification under standard conditions.

Application

2-Chloro-5-nitrobenzenesulfonic acid serves as a versatile building block for the synthesis of functionalized aromatic intermediates. Its ortho-chloro and para-nitro groups enable sequential functionalization via nucleophilic substitution and selective reduction, while the sulfonic acid moiety provides solubility and facilitates purification. The compound exhibits good bench stability and functions reliably in standard coupling and heterocyclic construction protocols.

Synthesis

Route1
- 100-00-5
- ~98%
- In-stock
  
  96-73-1
References
- Endyus'kin, V. P.; Lisitsyn, V. N.; Filippov, V. M.; Endyus'kin, P. N. J. Appl. Chem. USSR (Engl. Transl.), 1990 , vol. 63, # 7.2 p. 1568 - 1571,1442 - 1445
Route2
- In-stock
  
  88-45-9
- In-stock
  
  118-75-2
- ~%
- In-stock
  
  96-73-1
References
- US5451666 A1, ;
Route3
- 7664-93-9
- 100-00-5
- ~%
- In-stock
  
  96-73-1
References
- Chemische Berichte, , vol. 24, p. 3188 Chemische Berichte, , vol. 42, p. 1077 Justus Liebigs Annalen der Chemie, , vol. 265, p. 88

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS05,GHS07
Signal Word : Danger	UN#: 3261
Class : 8	Packing Group : Ⅱ
Hazard Statements : H314-H317
Precautionary Statements : P280-P305+P351+P338

Quality Control

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Computational Chemistry Data

TPSA 97.51
LogP 1.4949
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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2-Chloro-5-nitrobenzenesulfonic acid

CAS No. 96-73-1

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