3,4-Dihydroxybenzenesulfonic acid monoammonium salt supplier

Name
3,4-Dihydroxybenzenesulfonic acid monoammonium salt
EINECS
CAS No. 6099-56-5
Density
Solubility
Melting Point
Formula C₆H₅O₅S^.NH₄
Boiling Point 543.4 °C at 760 mmHg
Molecular Weight 207.20
Flash Point 282.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzenesulfonicacid, 3,4-dihydroxy-, monoammonium salt (8CI,9CI);3,4-Dihydroxybenzenesulfonic acid monoammonium salt;Pyrocatechol-4-sulfonic acid ammonium salt;
PSA 115.24000
LogP 1.46630

3,4-Dihydroxybenzenesulfonic acid monoammonium salt Specification

The IUPAC name of 3,4-Dihydroxybenzenesulfonic acid monoammonium salt is azane; 3,4-dihydroxybenzenesulfonic acid. With the CAS registry number 6099-56-5, it is also named as Pyrocatechol-4-sulfonic acid ammonium salt. The product is used as intermediates in organic synthesis. In addition, its molecular formula is C₆H₅O₅S^.NH₄ and its molecular weight is 207.20.

The other characteristics of 3,4-Dihydroxybenzenesulfonic acid monoammonium salt can be summarized as: (1)#H bond acceptors: 6; (2)#H bond donors: 6; (3)#Freely Rotating Bonds: 3; (4)Rotatable Bond Count: 1; (5)Tautomer Count: 8; (6)Exact Mass: 207.020143; (7)MonoIsotopic Mass: 207.020143; (8)Topological Polar Surface Area: 104; (9)Heavy Atom Count: 13; (10)Complexity: 241; (11)Polar Surface Area: 106.04 Å²; (12)Flash Point: 282.4 °C; (13)Enthalpy of Vaporization: 86.48 kJ/mol; (14)Boiling Point: 543.4 °C at 760 mmHg; (15)Vapour Pressure: 1.22E-12 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: [NH4+].Oc1ccc(cc1O)S([O-])(=O)=O
(2)InChI: InChI=1/C6H6O5S.H3N/c7-5-2-1-4(3-6(5)8)12(9,10)11;/h1-3,7-8H,(H,9,10,11);1H3
(3)InChIKey: NXIXYAIYSSMLJK-UHFFFAOYAM

Product Name

3,4-Dihydroxybenzenesulfonic acid monoammonium salt

3,4-Dihydroxybenzenesulfonic acid monoammonium salt Specification

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