Cas no 100367-66-6 (Benzenesulfonylchloride, 3,4-dinitro-)
100367-66-6 structure
Product Name:Benzenesulfonylchloride, 3,4-dinitro-
CAS No:100367-66-6
MF:C6H3ClN2O6S
MW:266.615819215775
CID:124044
PubChem ID:554835
Update Time:2025-04-18
Benzenesulfonylchloride, 3,4-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonylchloride, 3,4-dinitro-
- Benzenesulfonoyl chloride, 3,4-dinitro-
- 3,4-dinitrobenzenesulfonyl chloride
- 100367-66-6
- 3,4-Dinitrobenzenesulfonyl chloride #
- 3,4-DINITROBENZENE-1-SULFONYL CHLORIDE
- SCHEMBL3813276
- DTXSID80339244
- CFCJOWCTJBGWMR-UHFFFAOYSA-N
- AKOS005594442
-
- Inchi： 1S/C6H3ClN2O6S/c7-16(14,15)4-1-2-5(8(10)11)6(3-4)9(12)13/h1-3H
- InChI Key： CFCJOWCTJBGWMR-UHFFFAOYSA-N
- SMILES： ClS(C1C=CC(=C(C=1)[N+](=O)[O-])[N+](=O)[O-])(=O)=O
Computed Properties
- Exact Mass: 265.94009
- Monoisotopic Mass: 265.9400347g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 393
- 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: 1.6
- Topological Polar Surface Area: 134?2
Experimental Properties
- PSA: 120.42
- LogP: 3.55770
Benzenesulfonylchloride, 3,4-dinitro- Related Literature
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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