Cas no 212892-02-9 (Benzoic acid, 4-chloro-2-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester)
![Benzoic acid, 4-chloro-2-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester structure](https://ossimg.kuujia.com/scimg/213000/212892-02-9x500.png)
212892-02-9 structure
Product Name:Benzoic acid, 4-chloro-2-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester
CAS No:212892-02-9
MF:C9H6ClF3O5S
MW:318.654151439667
CID:1403725
PubChem ID:71358314
Update Time:2025-04-20
Benzoic acid, 4-chloro-2-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-chloro-2-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester
- methyl 4-chloro-2-(trifluoromethylsulfonyloxy)benzoate
- 212892-02-9
- methyl 4-chloro-2-[[(trifluoromethyl)sulfonyl]oxy]benzoate
- Methyl 4-chloro-2-[(trifluoromethanesulfonyl)oxy]benzoate
- methyl 4-chloro-2-{[(trifluoromethyl)sulfonyl]oxy}benzoate
- DTXSID50782329
- SCHEMBL6645882
-
- Inchi： 1S/C9H6ClF3O5S/c1-17-8(14)6-3-2-5(10)4-7(6)18-19(15,16)9(11,12)13/h2-4H,1H3
- InChI Key： UHAOXTSAZHKQOG-UHFFFAOYSA-N
- SMILES： ClC1C=CC(C(=O)OC)=C(C=1)OS(C(F)(F)F)(=O)=O
Computed Properties
- Exact Mass: 317.95768
- Monoisotopic Mass: 317.9576566g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 430
- 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: 78?2
Experimental Properties
- PSA: 69.67
Benzoic acid, 4-chloro-2-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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