Cas no 125629-20-1 (1,2-Benzenediol,3,5-bis[(trifluoromethyl)sulfonyl]-)
![1,2-Benzenediol,3,5-bis[(trifluoromethyl)sulfonyl]- structure](https://ossimg.kuujia.com/scimg/126000/125629-20-1x500.png)
125629-20-1 structure
Product Name:1,2-Benzenediol,3,5-bis[(trifluoromethyl)sulfonyl]-
CAS No:125629-20-1
MF:C8H4F6O6S2
MW:374.234181404114
CID:194429
PubChem ID:3079413
Update Time:2025-04-19
1,2-Benzenediol,3,5-bis[(trifluoromethyl)sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediol,3,5-bis[(trifluoromethyl)sulfonyl]-
- 3,5-bis(trifluoromethylsulfonyl)benzene-1,2-diol
- 1,2-Benzenediol, 3,5-bis((trifluoromethyl)sulfonyl)-
- 125629-20-1
- DTXSID90154824
- 3,5-Bis((trifluoromethyl)sulfonyl)-1,2-benzenediol
-
- Inchi： 1S/C8H4F6O6S2/c9-7(10,11)21(17,18)3-1-4(15)6(16)5(2-3)22(19,20)8(12,13)14/h1-2,15-16H
- InChI Key： LLVHQTRLLOAMAQ-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)(C1C(=C(C=C(C=1)S(C(F)(F)F)(=O)=O)O)O)(=O)=O
Computed Properties
- Exact Mass: 373.93532
- Monoisotopic Mass: 373.935
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 610
- 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: 2.7
- Topological Polar Surface Area: 126?2
Experimental Properties
- Density: 1.846
- Boiling Point: 487.5°Cat760mmHg
- Flash Point: 248.6°C
- Refractive Index: 1.478
- PSA: 108.74
1,2-Benzenediol,3,5-bis[(trifluoromethyl)sulfonyl]- Related Literature
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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