Cas no 499-62-7 (Benzoic acid,4-fluoro-3-iodo-, sodium salt (1:1))
499-62-7 structure
Product Name:Benzoic acid,4-fluoro-3-iodo-, sodium salt (1:1)
CAS No:499-62-7
MF:C7H3FINaO2
MW:287.990168809891
CID:329853
PubChem ID:23690450
Update Time:2025-04-19
Benzoic acid,4-fluoro-3-iodo-, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-fluoro-3-iodo-, sodium salt (1:1)
- sodium 4-fluoro-3-iodo-benzoate
- sodium,4-fluoro-3-iodobenzoate
- sodium 4-fluoro-3-iodobenzoate
- 3-Iodo-4-fluorobenzoic acid sodium salt
- BENZOIC ACID, 4-FLUORO-3-IODO-, SODIUM SALT
- 4-Fluoro-3-iodobenzoic acid, sodium salt
- DTXSID70198145
- 499-62-7
-
- Inchi： 1S/C7H4FIO2.Na/c8-5-2-1-4(7(10)11)3-6(5)9;/h1-3H,(H,10,11);/q;+1/p-1
- InChI Key： GBIQBERJADTQJA-UHFFFAOYSA-M
- SMILES： IC1=C(C=CC(C(=O)[O-])=C1)F.[Na+]
Computed Properties
- Exact Mass: 287.90549
- Monoisotopic Mass: 287.906
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 168
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 40.1A^2
Experimental Properties
- Boiling Point: 339.3°Cat760mmHg
- Flash Point: 159°C
- PSA: 40.13
Benzoic acid,4-fluoro-3-iodo-, sodium salt (1:1) Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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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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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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