Cas no 140-60-3 (Benzenesulfonic acid,4-decyl-)
Benzenesulfonic acid,4-decyl- structure
Product Name:Benzenesulfonic acid,4-decyl-
Benzenesulfonic acid,4-decyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid,4-decyl-
- 4-decylbenzenesulfonic acid
- p-decylbenzenesulphonic acid
- Benzenesulfonic acid, p-decyl-
- HSDB 5631
- p-Decylbenzenesulfonic acid
- p-N-Decylbenzenesulfonate
- Einecs 205-422-0
- p-Decylbenzolsulfonsaure
- PARA-DECYLBENZENESULPHONICACID
- P-DECYLBENZENESULFONICACID
- 4-DECYLBENZENESULFONIC ACID)
- Benzenesulfonic acid, 4-decyl-
- DTXSID7059696
- NS00024553
- 4-DECYLBENZENESULFONIC ACID [HSDB]
- 140-60-3
- SCHEMBL1301381
- 3A46YTI174
- UASQKKHYUPBQJR-UHFFFAOYSA-N
- UNII-3A46YTI174
- Q27256950
-
- Inchi： 1S/C16H26O3S/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(14-12-15)20(17,18)19/h11-14H,2-10H2,1H3,(H,17,18,19)
- InChI Key： UASQKKHYUPBQJR-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)CCCCCCCCCC)(=O)(=O)O
Computed Properties
- Exact Mass: 298.16038
- Monoisotopic Mass: 298.160265
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 10
- Complexity: 324
- 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: 5.9
- Topological Polar Surface Area: 62.8
Experimental Properties
- Density: 1.077
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.513
- PSA: 54.37
Benzenesulfonic acid,4-decyl- Related Literature
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Huanmei Ma,Jianhua Tian,Lan Cui,Yuanyuan Liu,Shuming Bai,Hang Chen,Zhongqiang Shan J. Mater. Chem. A 2015 3 8890
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Qiannan Liu,Zhe Hu,Weijie Li,Chao Zou,Huile Jin,Shun Wang,Shulei Chou,Shi-Xue Dou Energy Environ. Sci. 2021 14 158
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3. Studies on heterocyclic chemistry. Part 24. Syntheses of the 4-arylisothiazol-3-yl O-thioesters utilising the S-thioester →O-thioester rearrangements of the 4-aryl-5-thioxo-3-isothiazolin-3-yl S-thioesters induced by acylation reagents, peracid, or N-bromosuccinimideTarozaemon Nishiwaki,Etsuko Kawamura,Noritaka Abe,Mistuo Iori J. Chem. Soc. Perkin Trans. 1 1981 1401
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4. Conformational studies by dynamic nuclear magnetic resonance. Part 20. Internal motion in hydrazones and related derivativesLodovico Lunazzi,Dante Macciantelli J. Chem. Soc. Perkin Trans. 2 1981 604
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