Cas no 1235-89-8 (Benzene,1,1'-sulfonylbis[4-methyl-3-nitro-)
1235-89-8 structure
Product Name:Benzene,1,1'-sulfonylbis[4-methyl-3-nitro-
CAS No:1235-89-8
MF:C14H12N2O6S
MW:336.319882392883
CID:209293
PubChem ID:257491
Update Time:2025-04-19
Benzene,1,1'-sulfonylbis[4-methyl-3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1-methyl-4-(4-methyl-3-nitrophenyl)sulfonyl-2-nitrobenzene
- 1,1'-sulfonylbis(4-methyl-3-nitrobenzene)
- 3.3'-Dinitro-4.4'-dimethyl-diphenylsulfon
- AC1L5WW5
- AC1Q5AMH
- Ambcb5468721
- AR-1B4944
- bis-(4-methyl-3-nitro-phenyl)-sulfone
- CTK4B3555
- KST-1B0507
- NSC85544
- NSC-85544
- SR-01000209829-1
- 1235-89-8
- SR-01000209829
- DTXSID90292790
- Benzene,1,1'-sulfonylbis[4-methyl-3-nitro-
-
- Inchi： 1S/C14H12N2O6S/c1-9-3-5-11(7-13(9)15(17)18)23(21,22)12-6-4-10(2)14(8-12)16(19)20/h3-8H,1-2H3
- InChI Key： XMJOAZKUTPHAQT-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=C(C=1)[N+](=O)[O-])(C1C=CC(C)=C(C=1)[N+](=O)[O-])(=O)=O
Computed Properties
- Exact Mass: 336.04166
- Monoisotopic Mass: 336.041607
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 2
- Complexity: 517
- 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
- Topological Polar Surface Area: 134
- XLogP3: 3.1
Experimental Properties
- Density: 1.437
- Boiling Point: 520°Cat760mmHg
- Flash Point: 268.3°C
- Refractive Index: 1.614
- PSA: 120.42
- LogP: 5.07980
Benzene,1,1'-sulfonylbis[4-methyl-3-nitro- Related Literature
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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