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