Cas no 85650-10-8 (Benzenesulfonic acid, 2,4,6-trimethyl-, 2-chloroethyl ester)
85650-10-8 structure
Product Name:Benzenesulfonic acid, 2,4,6-trimethyl-, 2-chloroethyl ester
CAS No:85650-10-8
MF:C11H15ClO3S
MW:262.753001451492
CID:733418
Update Time:2024-01-31
Benzenesulfonic acid, 2,4,6-trimethyl-, 2-chloroethyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzenesulfonic acid, 2,4,6-trimethyl-, 2-chloroethyl ester
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- Inchi： 1S/C11H15ClO3S/c1-8-6-9(2)11(10(3)7-8)16(13,14)15-5-4-12/h6-7H,4-5H2,1-3H3
- InChI Key： YUGYVJZSOQHHFC-UHFFFAOYSA-N
- SMILES： C1(S(OCCCl)(=O)=O)=C(C)C=C(C)C=C1C
Computed Properties
- Exact Mass: 262.043
- Monoisotopic Mass: 262.043
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 298
- 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
Experimental Properties
- Density: 1.226
- Boiling Point: 411.4°Cat760mmHg
- Flash Point: 202.6°C
- Refractive Index: 1.521
Benzenesulfonic acid, 2,4,6-trimethyl-, 2-chloroethyl ester Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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