Product Name

  • Name

    2-Carboxy-5-nitrobenzenesulfonic acid potassium salt

  • EINECS
  • CAS No. 5344-48-9
  • Article Data2
  • CAS DataBase
  • Density 1.809g/cm3
  • Solubility
  • Melting Point
  • Formula C7H4KNO7S
  • Boiling Point
  • Molecular Weight 285.276
  • Flash Point
  • Transport Information
  • Appearance Light yellow powder
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 5344-48-9 (2-Carboxy-5-nitrobenzenesulfonic acid potassium salt)
  • Hazard Symbols
  • Synonyms Benzoicacid, 4-nitro-2-sulfo-, monopotassium salt (9CI);
  • PSA 148.70000
  • LogP 1.80110

2-Carboxy-5-nitrobenzenesulfonic acid potassium salt Specification

The 2-Carboxy-5-nitrobenzenesulfonic acid potassium salt is an organic compound with the formula C7H4KNO7S. The IUPAC name of this chemical is potassium 4-nitro-2-sulfobenzoic acid. With the CAS registry number 5344-48-9, it is also named as Benzoic acid, 4-nitro-2-sulfo-, monopotassium salt. It is light yellow powder which is used as pharmaceutical intermediate.

The other characteristics of this product can be summarized as: (1)#H bond acceptors: 8; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 148.7 ?2; (5)Rotatable Bond Count: 3; (6)Exact Mass: 285.942379; (7)MonoIsotopic Mass: 285.942379; (8)Topological Polar Surface Area: 146; (9)Heavy Atom Count: 17; (10)Formal Charge: 1; (11)Complexity: 403; (12)Covalently-Bonded Unit Count: 2.

People can use the following data to convert to the molecule structure.
1. SMILES:[K+].O=S(O)(=O)c1cc(ccc1C([O-])=O)[N+]([O-])=O
2. InChI:InChI=1/C7H5NO7S.K/c9-7(10)5-2-1-4(8(11)12)3-6(5)16(13,14)15;/h1-3H,(H,9,10)(H,13,14,15);/q;+1/p-1
3. InChIKey:ZJVMUAMBOGFWRS-REWHXWOFAN

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