Cas no 133-62-0 (2-Methyl-3,5-dinitrobenzenesulfonic acid)
133-62-0 structure
Product Name:2-Methyl-3,5-dinitrobenzenesulfonic acid
CAS No:133-62-0
MF:C7H6N2O7S
MW:262.196740627289
CID:117294
PubChem ID:412049
Update Time:2025-04-18
2-Methyl-3,5-dinitrobenzenesulfonic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-Methyl-3,5-dinitrobenzenesulfonic acid
- 2,4-DINITROTOLUENE-6-SULFONIC ACID
- Benzenesulfonic acid,2-methyl-3,5-dinitro-
- 2,4-DIBROMO-6-FLUOROBENZOYL CHLORIDE
- 2,4-Dinitrotoluol-6-sulfonsaeure
- 3,5-Dinitro-o-toluenesulfonic acid
- 3.5-Dinitro-o-toluolsulfonsaeure
- 4,6-dinitro-toluene-2-sulfonic acid
- 4,6-Dinitro-toluol-2-sulfonsaeure
- Benzenesulfonic acid,2-methyl-3,5-dinitro
- C.I.53030
- Thionone Brown RO
- C.I.Sulphur Brown 42
- 4,6-Dinitrotoluene-2-sulfonic acid
- 2-Methyl-3,5-dinitrobenzenesulfonic acid 3,5-Dinitro-o-toluenesulfonic acid
- 2-mercapto-butyric acid ethyl ester
- AKOS015909117
- SCHEMBL10623913
- FT-0610218
- DTXSID90927893
- 2-Methyl-3,5-dinitrobenzene-1-sulfonic acid
- 133-62-0
-
- Inchi: 1S/C7H6N2O7S/c1-4-6(9(12)13)2-5(8(10)11)3-7(4)17(14,15)16/h2-3H,1H3,(H,14,15,16)
- InChI Key: KFHPDUJFQBXXQY-UHFFFAOYSA-N
- SMILES: S(C1C=C(C=C(C=1C)[N+](=O)[O-])[N+](=O)[O-])(=O)(=O)O
Computed Properties
- Exact Mass: 261.99000
- Monoisotopic Mass: 261.98957171g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 417
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 0.7
- Topological Polar Surface Area: 154?2
Experimental Properties
- PSA: 154.39000
- LogP: 3.18530
2-Methyl-3,5-dinitrobenzenesulfonic acid Customs Data
- HS CODE:2904909090
- Customs Data:
China Customs Code:
2904909090Overview:
2904909090 Sulfonation of other hydrocarbons\nitrification\Nitrosative derivative(Whether halogenated or not). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%
2-Methyl-3,5-dinitrobenzenesulfonic acid Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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