Cas no 25496-01-9 (Benzenesulfonic acid,tridecyl-)
25496-01-9 structure
Product Name:Benzenesulfonic acid,tridecyl-
CAS No:25496-01-9
MF:C19H32O3S
MW:340.52058506012
CID:263560
Update Time:2024-01-27
Benzenesulfonic acid,tridecyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid,tridecyl-
- 4-Tridecylbenzenesulfonic acid
- 2-tridecylbenzenesulfonic acid
- Tridecylbenzenesulfonic acid
- Tridecylbenzenesulphonic acid
- tridecyl-benzenesulfonic acid
- Benzenesulfonic acid, tridecyl-
- Tridecylbenzolsulfonsaure
-
- Inchi： 1S/C19H32O3S/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17-19(18)23(20,21)22/h13-14,16-17H,2-12,15H2,1H3,(H,20,21,22)
- InChI Key： PVXSFEGIHWMAOD-UHFFFAOYSA-N
- SMILES： C1(S(O)(=O)=O)=CC=CC=C1CCCCCCCCCCCCC
Computed Properties
- Exact Mass: 340.20736
- Monoisotopic Mass: 340.207216
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 13
- Complexity: 365
- 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: 7.5
- Topological Polar Surface Area: 62.8
Experimental Properties
- Color/Form: Brown viscous liquid, nonvolatile organic acid
- Density: 1.042
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.507
- PSA: 54.37
Benzenesulfonic acid,tridecyl- Security Information
- Hazardous Material transportation number：UN 1760
- Packing Group：III
- HazardClass：8
- PackingGroup：III
Benzenesulfonic acid,tridecyl- Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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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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