Cas no 67973-19-7 (Benzoicacid, 3,5-dibromo-2,6-dinitro-)
67973-19-7 structure
Product Name:Benzoicacid, 3,5-dibromo-2,6-dinitro-
CAS No:67973-19-7
MF:C7H2Br2N2O6
MW:369.908580303192
CID:501014
PubChem ID:12432470
Update Time:2025-04-19
Benzoicacid, 3,5-dibromo-2,6-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzoicacid, 3,5-dibromo-2,6-dinitro-
- 3,5-Dibromo-2,6-dinitrobenzoic acid
- 3,5-Dibrom-2,6-dinitrobenzoesaeure
- Benzoicacid,3,5-dibromo-2,6-dinitro
- FT-0736034
- DTXSID20498046
- SCHEMBL1475958
- 67973-19-7
-
- Inchi： 1S/C7H2Br2N2O6/c8-2-1-3(9)6(11(16)17)4(7(12)13)5(2)10(14)15/h1H,(H,12,13)
- InChI Key： IKKZZHCFXNBGAB-UHFFFAOYSA-N
- SMILES： BrC1C=C(C(=C(C(=O)O)C=1[N+](=O)[O-])[N+](=O)[O-])Br
Computed Properties
- Exact Mass: 367.82800
- Monoisotopic Mass: 367.82796g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 327
- 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: 2.5
- Topological Polar Surface Area: 129?2
Experimental Properties
- Density: 2.341
- Boiling Point: 390.825°C at 760 mmHg
- Flash Point: 190.165°C
- Refractive Index: 1.709
- PSA: 128.94000
- LogP: 3.77260
Benzoicacid, 3,5-dibromo-2,6-dinitro- Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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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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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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