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CAS Number: 455-15-2
1-fluoro-4-(methylsulfonyl)benzene

Structure

 1-fluoro-4-(methylsulfonyl)benzene
Name: 1-fluoro-4-(methylsulfonyl)benzene
Synonyms:
General Information
Product Number: 455152
CAS Registry Number: 455-15-2
Name:
Benzene, 1-​fluoro-​4-​(methylsulfonyl)​-
Sulfone, p-​fluorophenyl methyl (7CI,​8CI); 1-​Fluoro-​4-​methanesulfonylbenze​ne; 1-​Fluoro-​4-​methylsulfonylbenzen​e; 4-​(Methylsulfonyl)​fluorobenzene; 4-​Fluoro-​1-​(methylsulfonyl)​benzene; 4-​Fluorophenyl methyl sulfone; 4-​Methylsulfonyl-​1-​fluorobenzene; Methyl 4-​fluorophenyl sulfone; NSC 226256; p-​Fluorophenyl methyl sulfone 
 
Chemical Formula: C7H7FO2S
Exact Mass: 174.02
Molecular Weight: 174.19
m/z: 174.02 (100.0%), 175.02 (7.7%), 176.01 (4.5%)
Elemental Analysis: C, 48.27; H, 4.05; F, 10.91; O, 18.37; S, 18.41
 
InChI: InChI=1S/C7H7FO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKey: DPJHZJGAGIWXTD-UHFFFAOYSA-N
Canonical SMILES : CS(=O)(=O)C1=CC=C(C=C1)F
 
Thermal Properties Value Condition Note
Melting Point 80 °C Solv: ethanol (64-17-5) (7)CAS
Melting Point 79-80 °C Solv: benzene (71-43-2) (8)CAS
Melting Point 78-80 °C   (9)CAS
Melting Point 77-78 °C   (10)CAS
Melting Point 76 °C   (11)CAS

Specification

98%
References
  1. (1) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  2. (2) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
  3. (3) Peyronneau, Magali; European Journal of Organic Chemistry 2004, (22), P4636-4640 CAPLUS
  4. (4) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  5. (5) Tang, Pingping; Journal of the American Chemical Society 2010, V132(34), P12150-12154 CAPLUS
  6. (6) 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.
  7. (7) Rumpf, Paul; FR 1311218 1962 CAPLUS
  8. (8) Matsui, Koji; Yuki Gosei Kagaku Kyokaishi 1963, V21(9), P713-18 CAPLUS
  9. (9) Truce, Wm. E.; Journal of the American Chemical Society 1953, V75, P5032-6 CAPLUS
  10. (10) Zahn, Helmut; Chemische Berichte 1953, V26, P172-80 CAPLUS
  11. (11) Supale, Amit R.; Phosphorus, Sulfur and Silicon and the Related Elements 2010, V185(4), P725-731 CAPLUS
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