Cas no 63134-17-8 (3-aminobenzenesulfonyl fluoride sulfate (1:1))
63134-17-8 structure
Product Name:3-aminobenzenesulfonyl fluoride sulfate (1:1)
CAS No:63134-17-8
MF:C6H8FNO6S2
MW:273.259222984314
CID:1651656
PubChem ID:113050
Update Time:2025-04-21
3-aminobenzenesulfonyl fluoride sulfate (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 3-aminobenzenesulfonyl fluoride sulfate (1:1)
- 3-aminobenzenesulfonyl fluoride,sulfuric acid
- 63980-92-7
- DTXSID0069703
- 63134-17-8
- LEYKATQYMCVDON-UHFFFAOYSA-N
- 3-Aminobenzene-1-sulfonyl fluoride sulfate
- starbld0019096
- 3-AMINOBENZENESULFONYL FLUORIDE SULFATE
- Benzenesulfonyl fluoride, 3-amino-, sulfate (1:1)
-
- Inchi： 1S/C6H6FNO2S.H2O4S/c7-11(9,10)6-3-1-2-5(8)4-6;1-5(2,3)4/h1-4H,8H2;(H2,1,2,3,4)
- InChI Key： LEYKATQYMCVDON-UHFFFAOYSA-N
- SMILES： S(C1C=CC=C(C=1)N)(=O)(=O)F.S(=O)(=O)(O)O
Computed Properties
- Exact Mass: 272.97774
- Monoisotopic Mass: 272.978
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 303
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 152?2
Experimental Properties
- Boiling Point: 301.5°C at 760 mmHg
- Flash Point: 136.2°C
- PSA: 134.76
3-aminobenzenesulfonyl fluoride sulfate (1:1) Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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