Cas no 65325-67-9 (1-[(fluoromethyl)sulfinyl]-4-methylbenzene)
65325-67-9 structure
Product Name:1-[(fluoromethyl)sulfinyl]-4-methylbenzene
CAS No:65325-67-9
MF:C8H9FOS
MW:172.219864606857
CID:889343
PubChem ID:325134
Update Time:2025-04-19
1-[(fluoromethyl)sulfinyl]-4-methylbenzene Chemical and Physical Properties
Names and Identifiers
-
- 1-(fluoromethylsulfinyl)-4-methylbenzene
- 1-[(fluoromethyl)sulfinyl]-4-methylbenzene
- 1-((fluoromethyl)sulfinyl)-4-methylbenzene
- 1-(fluoromethyl)sulfinyl-4-methylbenzene
- AC1L6VLP
- AGN-PC-00HN3Q
- benzene, 1-[(fluoromethyl)sulfinyl]-4-methyl-
- CTK7C2990
- Fluormethyl-(4-methylphenyl)-sulfoxid
- fluoromethyl p-tolyl sulfoxide
- NSC293054
- SureCN2729360
-
- Inchi: 1S/C8H9FOS/c1-7-2-4-8(5-3-7)11(10)6-9/h2-5H,6H2,1H3
- InChI Key: RJMVSDQUPISREF-UHFFFAOYSA-N
- SMILES: S(CF)(C1C=CC(C)=CC=1)=O
Computed Properties
- Exact Mass: 172.03587
- Monoisotopic Mass: 172.036
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 141
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 36.3?2
Experimental Properties
- Density: 1.24
- Boiling Point: 293.4°C at 760 mmHg
- Flash Point: 131.2°C
- Refractive Index: 1.564
- PSA: 17.07
1-[(fluoromethyl)sulfinyl]-4-methylbenzene Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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