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CAS Number: 22892-96-2
4-chloro-3-nitro-5-sulfamoylbenzoic acid

Structure

4-chloro-3-nitro-5-sulfamoylbenzoic acid
Name: 4-chloro-3-nitro-5-sulfamoylbenzoic acid
Synonyms:
General Information
Product Number: 22892962
CAS Registry Number: 22892-96-2
Name:
        Benzoic acid, 3-​(aminosulfonyl)​-​4-​chloro-​5-​nitro-
        Benzoic acid, 4-​chloro-​3-​nitro-​5-​sulfamoyl- (8CI); 4-​Chloro-​3-​nitro-​5-​sulfamoylbenzoate acid; 4-​Chloro-​3-​nitro-​5-​sulfamoylbenzoic acid; 4-​Chloro-​3-​nitro-​5-​sulfamylbenzoic acid; 4-​Chloro-​3-​nitro-​5-​sulfonamido-​benzoic acid; 5-​Aminosulfonyl-​4-​chloro-​3-​nitrobenzoic acid 
 
Chemical Formula: C7H5ClN2O6S
Exact Mass: 279.96
Molecular Weight: 280.64
m/z: 279.96 (100.0%), 281.95 (36.5%), 280.96 (8.7%), 282.96 (2.6%), 281.96 (1.6%), 283.95 (1.5%)
Elemental Analysis: C, 29.96; H, 1.80; Cl, 12.63; N, 9.98; O, 34.21; S, 11.43
 
InChI: InChI=1S/C7H5ClN2O6S/c8-6-4(10(13)14)1-3(7(11)12)2-5(6)17(9,15)16/h1-2H,(H,11,12)(H2,9,15,16)
InChIKey: ACYLUAGCBGTEJF-UHFFFAOYSA-N
Canonical SMILES : C1=C(C=C(C(=C1[N+](=O)[O-])Cl)S(=O)(=O)N)C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 235-236.5 °C (decomp) Solv: water (7732-18-5) (1)CAS
Melting Point 235-236 °C   (2)IC
 

Specification

98%

References

  • (1) Feit, Peter W.; ZA 6803145 1968 CAPLUS
  • (2) Kansal, V. K.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 1979, V18B(1), P88-90 CAPLUS
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