Cas no 67032-28-4 (benzoic acid, 3,5-diamino-2,4,6-triiodo-, sodium salt)
67032-28-4 structure
Product Name:benzoic acid, 3,5-diamino-2,4,6-triiodo-, sodium salt
CAS No:67032-28-4
MF:C7H4I3N2NaO2
MW:551.82204914093
CID:2675881
PubChem ID:23703915
Update Time:2025-04-21
benzoic acid, 3,5-diamino-2,4,6-triiodo-, sodium salt Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Diamino-2,4,6-triiodobenzoic acid sodium salt
- sodium,3,5-diamino-2,4,6-triiodobenzoate
- BENZOIC ACID, 3,5-DIAMINO-2,4,6-TRIIODO-, SODIUM SALT
- YQFXVTZPIGAJRU-UHFFFAOYSA-M
- DTXSID20217310
- SCHEMBL6389929
- DTXCID20139801
- Sodium 3,5-diamino-2,4,6-triiodobenzoate
- 67032-28-4
- benzoic acid, 3,5-diamino-2,4,6-triiodo-, sodium salt
-
- Inchi： 1S/C7H5I3N2O2.Na/c8-2-1(7(13)14)3(9)6(12)4(10)5(2)11;/h11-12H2,(H,13,14);/q;+1/p-1
- InChI Key： YQFXVTZPIGAJRU-UHFFFAOYSA-M
- SMILES： IC1C(=C(C(=C(C=1C(=O)[O-])I)N)I)N.[Na+]
Computed Properties
- Exact Mass: 529.748506
- Monoisotopic Mass: 529.748506
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 225
- 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: 89.3
Experimental Properties
- Density: 3.067
- Boiling Point: 503.9°Cat760mmHg
- Flash Point: 258.6°C
benzoic acid, 3,5-diamino-2,4,6-triiodo-, sodium salt Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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