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CAS Number: 5470-49-5
4-(methylsulfonyl)aniline

Structure

 4-(methylsulfonyl)aniline
Name: 4-(methylsulfonyl)aniline
Synonyms:
General Information
Product Number: 5470495
CAS Registry Number:
5470-49-5
Name:
Benzenamine, 4-​(methylsulfonyl)​-
Aniline, p-​(methylsulfonyl)​- (6CI,​7CI,​8CI); 4-​(Methanesulfonyl)​aniline; 4-​(Methanesulphonyl)​aniline; 4-​(Methylsulfonyl)​aniline; 4-​(Methylsulfonyl)​benzenamine; 4-​Aminophenyl methyl sulfone; 4-​Methanesulfonylpheny​lamine; 4-​Methylsulfonylphenyl​amine; Methyl 4-​aminophenyl sulfone; NSC 229035; NSC 27552; [(4-​Aminophenyl)​sulfonyl]​methane; p-​(Methylsulfonyl)​aniline; p-​Aminophenyl methyl sulfone; p-​Mesylaniline; p-​[Methylsulfonyl]​phenylamine 
 
Chemical Formula: C7H9NO2S
Exact Mass: 171.04
Molecular Weight: 171.22
m/z: 171.04 (100.0%), 172.04 (7.8%), 173.03 (4.5%), 172.03 (1.2%)
Elemental Analysis: C, 49.10; H, 5.30; N, 8.18; O, 18.69; S, 18.73
 
InChI: InChI=1S/C7H9NO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
InChIKey: XJEVFFNOMKXBLU-UHFFFAOYSA-N
Canonical SMILES : CS(=O)(=O)C1=CC=C(C=C1)N

Specification

98%
References
  1. (1) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  2. (2) WSS: Wolfgang Robien / University of Vienna (Spectral Data were obtained from Wiley Subscription Services, Inc. (US))
  3. (3) Budesinsky, Milos; Collection of Czechoslovak Chemical Communications 1991, V56(2), P368-85 CAPLUS
  4. (4) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
  5. (5) Jilek, Jiri; Collection of Czechoslovak Chemical Communications 1985, V50(2), P519-37 CAPLUS
  6. (6) Goldberg, Alan A.; Journal of the Chemical Society 1945, P566-71 CAPLUS
  7. (7) Richardson, Christine M.; Bioorganic & Medicinal Chemistry Letters 2006, V16(5), P1353-1357 CAPLUS
  8. (8) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  9. (9) Baker, B. R.; Journal of Organic Chemistry 1950, V15, P413-16 CAPLUS
  10. (10) Smirnova, N. V.; Zhurnal Obshchei Khimii 1947, V17, P283-7 CAPLUS
  11. (11) Yagupol'skii, L. M.; Zhurnal Obshchei Khimii 1957, V27, P1395-9 CAPLUS
  12. (12) Ohta, Masaki; Yakugaku Zasshi 1950, V70, P16-19 CAPLUS
  13. (13) Courtin, Alfred; Helvetica Chimica Acta 1983, V66(4), P1046-52 CAPLUS
  14. (14) Larsson, Erik; Chalmers Tekniska Hoegskolas Handlingar 1950, VNo. 94, P3-7 CAPLUS
  15. (15) Ishidate, Morizo; Yakugaku Zasshi 1949, V69, P513-18 CAPLUS
  16. (16) Goldberg, Alan A.; GB 563558 1944 CAPLUS
  17. (17) Waldron, W. R.; Journal of the American Chemical Society 1923, V45, P2399-417 CAPLUS
  18. (18) Malinowski, Marek; Journal fuer Praktische Chemie (Leipzig) 1988, V330(5), P811-13 CAPLUS
  19. (19) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
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