Cas no 25297-82-9 (Benzenesulfonic acid,4-nitro-, 1,2-ethanediyl ester (9CI))
25297-82-9 structure
Product Name:Benzenesulfonic acid,4-nitro-, 1,2-ethanediyl ester (9CI)
CAS No:25297-82-9
MF:C14H12N2O10S2
MW:432.382481575012
CID:273439
PubChem ID:97326
Update Time:2025-04-19
Benzenesulfonic acid,4-nitro-, 1,2-ethanediyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid,4-nitro-, 1,2-ethanediyl ester (9CI)
- 2-(4-nitrophenyl)sulfonyloxyethyl 4-nitrobenzenesulfonate
- AC1L3YA6
- AC1Q1ZH7
- AR-1I7364
- Benzenesulfonic acid, 1,2-ethanediyl ester
- ethane-1,2-diyl bis(4-nitrobenzenesulfonate)
- Ethylenebis(p-nitrobenzenesulfonate)
- NSC115800
- NSC-115800
- 25297-82-9
- NSC 115800
- Benzenesulfonic acid, 4-nitro-, 1,2-ethanediyl ester (9CI)
- Benzenesulfonic acid, 4-nitro-, 1,2-ethanediyl ester
- 1,2-Bis(nosyloxy)ethane
- DTXSID50179937
-
- Inchi： 1S/C14H12N2O10S2/c17-15(18)11-1-5-13(6-2-11)27(21,22)25-9-10-26-28(23,24)14-7-3-12(4-8-14)16(19)20/h1-8H,9-10H2
- InChI Key： UJHNMJVBMNBRLG-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)[N+](=O)[O-])(=O)(=O)OCCOS(C1C=CC(=CC=1)[N+](=O)[O-])(=O)=O
Computed Properties
- Exact Mass: 431.99336
- Monoisotopic Mass: 431.993
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 28
- Rotatable Bond Count: 7
- Complexity: 678
- 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: 1.8
- Topological Polar Surface Area: 195?2
Experimental Properties
- Density: 1.599
- Boiling Point: 653.8°C at 760 mmHg
- Flash Point: 349.2°C
- Refractive Index: 1.611
- PSA: 173.02
- LogP: 4.82180
Benzenesulfonic acid,4-nitro-, 1,2-ethanediyl ester (9CI) Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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