Cas no 96-71-9 (2-Methyl-5-isopropylbenzenesulfonic acid)
96-71-9 structure
Product Name:2-Methyl-5-isopropylbenzenesulfonic acid
CAS No:96-71-9
MF:C10H14O3S
MW:214.281362056732
CID:34870
PubChem ID:12363622
Update Time:2025-04-19
2-Methyl-5-isopropylbenzenesulfonic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-Methyl-5-isopropylbenzenesulfonic acid
- p-Cymene-2-sulfonic acid
- 2-methyl-5-propan-2-ylbenzenesulfonic acid
- 2-methyl-5-(1-methylethyl)-benzenesulfonic acid
- 2-Methyl-5-isopropylbenzolsulfosaeure
- 5-isopropyl-2-methyl-benzenesulfonic acid
- 5-Isopropyl-2-methyl-benzolsulfonsaeure
- p-cumene-2-sulphonic acid
- p-cyneme-2-sulphonic acid
- AKOS022773387
- SCHEMBL393740
- DTXSID00494309
- 96-71-9
- 2-Methyl-5-(propan-2-yl)benzene-1-sulfonic acid
- 5-ISOPROPYL-2-METHYL-1-BENZENESULFONIC ACID
- DB-303552
- 2-methyl-5-(propan-2-yl)benzenesulfonic acid
- DTXCID00445119
- STL434986
-
- Inchi： 1S/C10H14O3S/c1-7(2)9-5-4-8(3)10(6-9)14(11,12)13/h4-7H,1-3H3,(H,11,12,13)
- InChI Key： OORBHYFTTSLSRU-UHFFFAOYSA-N
- SMILES： S(C1=C(C)C=CC(=C1)C(C)C)(=O)(=O)O
Computed Properties
- Exact Mass: 214.06600
- Monoisotopic Mass: 214.06636548g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 276
- 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: 2.2
- Topological Polar Surface Area: 62.8?2
Experimental Properties
- Density: 1.200
- Refractive Index: 1.534
- PSA: 62.75000
- LogP: 3.44590
2-Methyl-5-isopropylbenzenesulfonic acid Customs Data
- HS CODE：2904100000
- Customs Data：
China Customs Code:
2904100000Overview:
2904100000 Derivatives containing only sulfo groups and their salts and ethyl esters.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2904100000 derivatives containing only sulpho groups, their salts and ethyl esters.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%
2-Methyl-5-isopropylbenzenesulfonic acid Related Literature
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Marta Martínez Belmonte,Eduardo C. Escudero-Adán,Eddy Martin,Arjan W. Kleij Dalton Trans. 2012 41 5193
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Jing Qian,Shasha Yu,Wenjun Wang,Liping Wang,Jinlei Tian,Shiping Yan Dalton Trans. 2014 43 2646
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Jason D. Masuda,Pingrong Wei,Douglas W. Stephan Dalton Trans. 2003 3500
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Todd C. Harrop,Marilyn M. Olmstead,Pradip K. Mascharak Chem. Commun. 2003 410
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Francisco J. Fernández-Alvarez,Víctor Polo,Pilar García-Ordu?a,Fernando J. Lahoz,Jesús J. Pérez-Torrente,Luis A. Oro,Ralte Lalrempuia Dalton Trans. 2019 48 6455
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