Cas no 95192-62-4 (Benzoicacid, 2-iodo-4,6-dinitro-)
95192-62-4 structure
Product Name:Benzoicacid, 2-iodo-4,6-dinitro-
CAS No:95192-62-4
MF:C7H3IN2O6
MW:338.01299405098
CID:797017
PubChem ID:2762949
Update Time:2025-04-19
Benzoicacid, 2-iodo-4,6-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzoicacid, 2-iodo-4,6-dinitro-
- 2-iodo-4,6-dinitrobenzoic acid
- 4,6-Dinitro-2-iodobenzoic acid
- 4,6-DINITRO-4-IODOBENZOIC ACID
- Benzoicacid,2-iodo-4,6-dinitro
- DTXSID50376601
- 95192-62-4
- FT-0716540
-
- Inchi： 1S/C7H3IN2O6/c8-4-1-3(9(13)14)2-5(10(15)16)6(4)7(11)12/h1-2H,(H,11,12)
- InChI Key： BPRWITXLBDMESL-UHFFFAOYSA-N
- SMILES： IC1=CC(=CC(=C1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 337.90400
- Monoisotopic Mass: 337.904
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 324
- 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: 129?2
Experimental Properties
- Density: 2.288±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 220-221 oC
- Boiling Point: 445.2°C at 760 mmHg
- Flash Point: 223.1°C
- Refractive Index: 1.733
- Solubility: Very slightly soluble (0.2 g/l) (25 o C),
- PSA: 128.94000
- LogP: 2.85220
Benzoicacid, 2-iodo-4,6-dinitro- Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
-
5. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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