Cas no 59989-97-8 (1,4-Benzenedicarboxylic acid, dinitro-)
59989-97-8 structure
Product Name:1,4-Benzenedicarboxylic acid, dinitro-
CAS No:59989-97-8
MF:C8H4N2O8
MW:256.125962257385
CID:336610
PubChem ID:53652694
Update Time:2025-04-19
1,4-Benzenedicarboxylic acid, dinitro- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenedicarboxylic acid, dinitro-
- 2,3-dinitroterephthalic acid
- DTXSID00705700
- 59989-97-8
- 2,3-Dinitrobenzene-1,4-dicarboxylic acid
-
- Inchi： 1S/C8H4N2O8/c11-7(12)3-1-2-4(8(13)14)6(10(17)18)5(3)9(15)16/h1-2H,(H,11,12)(H,13,14)
- InChI Key： ANTJQCOLMJGTFH-UHFFFAOYSA-N
- SMILES： OC(C1=CC=C(C(=O)O)C(=C1[N+](=O)[O-])[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 255.99672
- Monoisotopic Mass: 255.99676509g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 359
- 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: 0.6
- Topological Polar Surface Area: 166?2
Experimental Properties
- PSA: 160.88
1,4-Benzenedicarboxylic acid, dinitro- Related Literature
-
Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
-
Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
59989-97-8 (1,4-Benzenedicarboxylic acid, dinitro-) Related Products
- 3113-72-2(5-Methyl-2-nitrobenzoic acid)
- 27329-27-7(4-Methyl-2-nitrobenzoic acid)
- 4315-09-7(4-Nitrobenzene-1,3-dicarboxylic acid)
- 82379-38-2(4-(Hydroxymethyl)-3-nitrobenzoic acid)
- 132080-60-5(5-AMINO-2-NITROBENZOIC ACID)
- 606-18-8(2-amino-3-nitro-benzoic acid)
- 610-29-7(2-nitrobenzene-1,4-dicarboxylic acid)
- 21161-11-5(2-Nitroisophthalic acid)
- 13280-60-9(5-Amino-2-nitrobenzoic acid)
- 552-16-9(2-Nitrobenzoic acid)
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