Cas no 87787-49-3 (Benzene,1-[(4-fluorophenyl)sulfonyl]-3-methyl-)
![Benzene,1-[(4-fluorophenyl)sulfonyl]-3-methyl- structure](https://ossimg.kuujia.com/scimg/88000/87787-49-3x500.png)
87787-49-3 structure
Product Name:Benzene,1-[(4-fluorophenyl)sulfonyl]-3-methyl-
CAS No:87787-49-3
MF:C13H11FO2S
MW:250.288645982742
CID:722787
PubChem ID:3021164
Update Time:2025-04-19
Benzene,1-[(4-fluorophenyl)sulfonyl]-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-[(4-fluorophenyl)sulfonyl]-3-methyl-
- 1-(4-fluorophenyl)sulfonyl-3-methylbenzene
- m-[(p-fluorophenyl)sulphonyl]toluene
- M-[(P-FLUOROPHENYL)SULFONYL]TOLUENE
- 87787-49-3
- starbld0034942
- NS00064904
- 1-[(4-Fluorophenyl)sulfonyl]-3-methylbenzene
- DTXSID80236628
- AKOS040752884
- 1-((4-Fluorophenyl)sulfonyl)-3-methylbenzene
- m-((p-Fluorophenyl)sulphonyl)toluene
- EINECS 289-347-9
-
- Inchi： 1S/C13H11FO2S/c1-10-3-2-4-13(9-10)17(15,16)12-7-5-11(14)6-8-12/h2-9H,1H3
- InChI Key： OTJNJSHIASASQC-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)F)(C1C=CC=C(C)C=1)(=O)=O
Computed Properties
- Exact Mass: 250.046
- Monoisotopic Mass: 250.046
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 339
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 42.5?2
Experimental Properties
- Density: 1.262
- Boiling Point: 394.1°C at 760 mmHg
- Flash Point: 192.1°C
- Refractive Index: 1.569
Benzene,1-[(4-fluorophenyl)sulfonyl]-3-methyl- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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