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CAS Number: 7326-73-0
3-(N,N-dimethylsulfamoyl)benzoic acid

Structure

3-(N,N-dimethylsulfamoyl)benzoic acid
Name: 3-(N,N-dimethylsulfamoyl)benzoic acid
Synonyms:
General Information
Product Number: 7326730
CAS Registry Number: 7326-73-0
Name:
        Benzoic acid, 3-​[(dimethylamino)​sulfonyl]​-
        Benzoic acid, m-​(dimethylsulfamoyl)​- (7CI,​8CI); 3-​(N,​N-​Dimethylsulfamoyl)​benzoic acid; 3-​[(Dimethylamino)​sulfonyl]​benzoic acid 
 
Chemical Formula: C9H11NO4S
Exact Mass: 229.04
Molecular Weight: 229.25
m/z: 229.04 (100.0%), 230.04 (10.9%), 231.04 (4.6%), 231.05 (1.3%)
Elemental Analysis: C, 47.15; H, 4.84; N, 6.11; O, 27.92; S, 13.99
 
InChI: InChI=1S/C9H11NO4S/c1-10(2)15(13,14)8-5-3-4-7(6-8)9(11)12/h3-6H,1-2H3,(H,11,12)
InChIKey: ZYUAOEFMKIYOPZ-UHFFFAOYSA-N
Canonical SMILES : CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 170-172 °C   (2)CAS
Melting Point 142-143 °C Solv: water (7732-18-5) (1)CAS
 

Specification

98%

References
  1. (1) Khodarahmi, Ghadam Ali; Iranian Journal of Pharmaceutical Research 2005, V4(1), P43-56 CAPLUS
  2. (2) LoraTamayo, M.; Anales de la Real Sociedad Espanola de Fisica y Quimica, Serie B: Quimica 1966, V62(2), P187-92 CAPLUS
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