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CAS Number: 6292-59-7
4-(tert-butyl)benzenesulfonamide

Structure

4-(tert-butyl)benzenesulfonamide
Name: 4-(tert-butyl)benzenesulfonamide
Synonyms:
General Information
Product Number: 6292597

CAS Registry Number 6292-59-7
Name:
Benzenesulfonamide, 4-​(1,​1-​dimethylethyl)​-
Benzenesulfonamide, p-tert-butyl- (6CI,8CI)
4-(1,1-Dimethylethyl)benzenesulfonamide
4-tert-Butylbenzenesulfonamide
NSC 9911
p-(tert-Butyl)phenylsulfonamide

 

Chemical Formula: C10H15NO2S
Exact Mass: 213.08
Molecular Weight: 213.30
m/z: 213.08 (100.0%), 214.09 (11.1%), 215.08 (4.6%), 214.08 (1.2%), 215.09 (1.1%)

 

InChI:InChI=1S/C10H15NO2S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3,(H2,11,12,13)

InChI Key:KYDZEZNYRFJCSA-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N

 

Thermal Properties Value Condition Note
Melting Point 138-138.5 °C   (2)CAS
Melting Point 136-137 °C   (3)CAS
Melting Point 135-136 °C Solv: water (7732-18-5); ethanol (64-17-5) (4)CAS
Melting Point 133-134 °C Solv: water (7732-18-5); methanol (67-56-1) (1)CAS
Melting Point See full text   (5)CAS
Melting Point See full text   (6)CAS

Specification

98%

References
  1. (1) Yuriev, Elizabeth; European Journal of Medicinal Chemistry 2004, V39(10), P835-847 CAPLUS
  2. (2) Morimoto, Hiroshi; Journal of Medicinal Chemistry 2001, V44(21), P3355-3368 CAPLUS
  3. (3) Huntress, Ernest H.; Journal of the American Chemical Society 1941, V63, P3446-8 CAPLUS
  4. (4) Shirley, David A.; Journal of the American Chemical Society 1957, V79, P3481-5 CAPLUS
  5. (5) Mahalingam, A. K.; Synthetic Communications 2005, V35(3), P417-425 CAPLUS
  6. (6) Katritzky, Alan R.; ARKIVOC (Gainesville, FL, United States) 2008, (4), P115-124 CAPLUS
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