Cas no 52118-12-4 (1,2-Benzenedicarboxylicacid, iron(3+) salt (3:2))
52118-12-4 structure
Product Name:1,2-Benzenedicarboxylicacid, iron(3+) salt (3:2)
CAS No:52118-12-4
MF:C24H12Fe2O12
MW:604.034890174866
CID:380816
PubChem ID:6452582
Update Time:2025-04-19
1,2-Benzenedicarboxylicacid, iron(3+) salt (3:2) Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylicacid, iron(3+) salt (3:2)
- iron(3+),phthalate
- Iron phthalate (2:3)
- 52118-12-4
- DTXSID40200128
- EINECS 257-669-9
- NS00089975
-
- Inchi： 1S/3C8H6O4.2Fe/c3*9-7(10)5-3-1-2-4-6(5)8(11)12;;/h3*1-4H,(H,9,10)(H,11,12);;/q;;;2*+3/p-6
- InChI Key： TZUOAFAFVLCVOL-UHFFFAOYSA-H
- SMILES： [Fe+3].[Fe+3].[O-]C(C1C=CC=CC=1C(=O)[O-])=O.[O-]C(C1C=CC=CC=1C(=O)[O-])=O.[O-]C(C1C=CC=CC=1C(=O)[O-])=O
Computed Properties
- Exact Mass: 601.92762
- Monoisotopic Mass: 603.90276
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 38
- Rotatable Bond Count: 0
- Complexity: 166
- Covalently-Bonded Unit Count: 5
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 241
Experimental Properties
- Boiling Point: 378.3°C at 760 mmHg
- Flash Point: 196.7°C
- PSA: 235.12
1,2-Benzenedicarboxylicacid, iron(3+) salt (3:2) Related Literature
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
52118-12-4 (1,2-Benzenedicarboxylicacid, iron(3+) salt (3:2)) Related Products
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- 480-63-7(2,4,6-Trimethylbenzoic acid)
- 569-51-7(1,2,3-Benzenetricarboxylic acid)
- 88-99-3(Phthalic acid)
- 610-72-0(2,5-Dimethylbenzoic acid)
- 603-79-2(2,3-Dimethylbenzoic Acid)
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