Cas no 65924-59-6 (1,3-Benzenedicarboxaldehyde, 4,6-dinitro-)
65924-59-6 structure
Product Name:1,3-Benzenedicarboxaldehyde, 4,6-dinitro-
CAS No:65924-59-6
MF:C8H4N2O6
MW:224.127161979675
CID:397099
PubChem ID:2749667
Update Time:2025-04-19
1,3-Benzenedicarboxaldehyde, 4,6-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxaldehyde, 4,6-dinitro-
- 4,6-dinitrobenzene-1,3-dicarbaldehyde
- AKOS004905032
- 65924-59-6
- 4,6-Dinitroisophthalaldehyde
- SCHEMBL9215364
- DTXSID10372780
-
- Inchi： 1S/C8H4N2O6/c11-3-5-1-6(4-12)8(10(15)16)2-7(5)9(13)14/h1-4H
- InChI Key： VCIJDXSHLZLMST-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C(C=O)=CC=1C=O)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 224.00692
- Monoisotopic Mass: 224.00693585g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 290
- 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: 0.5
- Topological Polar Surface Area: 126?2
Experimental Properties
- PSA: 120.42
1,3-Benzenedicarboxaldehyde, 4,6-dinitro- Related Literature
-
Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
65924-59-6 (1,3-Benzenedicarboxaldehyde, 4,6-dinitro-) Related Products
- 528-75-6(2,4-Dinitrobenzaldehyde)
- 31680-07-6(4-Methyl-3-nitrobenzaldehyde)
- 18515-67-8(3-Methyl-4-nitrobenzaldehyde)
- 5858-28-6(5-Methyl-2-nitrobenzaldehyde)
- 606-34-8(Benzaldehyde,2,4,6-trinitro-)
- 552-89-6(2-Nitrobenzaldehyde)
- 606-31-5(2,6-Dinitrobenzaldehyde)
- 20357-22-6(4-Methyl-2-nitrobenzaldehyde)
- 56008-61-8(2-amino-5-nitrobenzaldehyde)
- 109466-84-4(2-Amino-4-nitrobenzaldehyde)
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