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86195

Sigma-Aldrich

5-Sulfosalicylic acid dihydrate

purum p.a., ≥98.0% (T)

Synonym(s):

2-Hydroxy-5-sulfobenzoic acid

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About This Item

Linear Formula:
HO3SC6H3-2-(OH)CO2H·2H2O
CAS Number:
5965-83-3
Molecular Weight:
254.21
Beilstein/REAXYS Number:
650741
EC Number:
202-555-6
MDL number:
MFCD00149540
UNSPSC Code:
12352100
PubChem Substance ID:
329769448
NACRES:
NA.21

grade

purum p.a.

Quality Level

200

assay

≥98.0% (T)

form

solid

mp

105-110 °C (lit.)

solubility

water: soluble 127.1 g/L at 20 °C

anion traces

chloride (Cl-): ≤50 mg/kg

cation traces

Ca: ≤50 mg/kg
Cd: ≤50 mg/kg
Co: ≤50 mg/kg
Cu: ≤50 mg/kg
Fe: ≤50 mg/kg
K: ≤100 mg/kg
Na: ≤100 mg/kg
Ni: ≤50 mg/kg
Pb: ≤50 mg/kg
Zn: ≤50 mg/kg

SMILES string

[H]O[H].[H]O[H].OC(=O)c1cc(ccc1O)S(O)(=O)=O

InChI

1S/C7H6O6S.2H2O/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;;/h1-3,8H,(H,9,10)(H,11,12,13);2*1H2

InChI key

BHDKTFQBRFWJKR-UHFFFAOYSA-N

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General description

5-Sulfosalicylic acid is strongly acidic in nature. It exists in various hydrated forms such as dihydrate, dideuterate, trihydrate and pentahydrate. It acts as a ligand and forms various coordination complexes. It forms a complex with theophylline. Crystal structure of the complex was investigated by X-ray photoelectron spectroscopy (XPS).

Application

5-Sulfosalicylic acid dihydrate may be used in the preparation of 1:1 proton-transfer organic adduct, 3-aminopyridin­ium 3-carb­oxy-4-hydroxy­benzene­sulfonate monohydrate and the anhydrous adduct.

pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk_germany

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCL5557
BCCK3609
BCCJ2645
BCCF9318
BCCC6287

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Joanna S Stevens et al.
The journal of physical chemistry. B, 114(44), 13961-13969 (2010-10-22)
Recent studies suggested that X-ray photoelectron spectroscopy (XPS) sensitively determines the protonation state of nitrogen functional groups in the solid state, providing a means for distinguishing between co-crystals and salts of organic compounds. Here we describe how a new theophylline
Two salts of 5-sulfosalicylic acid and 3-aminopyridine.
Meng XG, et al.
Acta Crystallographica Section C, Crystal Structure Communications, 63(11), o667-o670 (2007)
Hydrogen bonding in proton-transfer compounds of 5-sulfosalicylic acid with ortho-substituted monocyclic heteroaromatic Lewis bases.
Smith G, et al.
Journal of Chemical Crystallography, 36(12), 841-849 (2006)
Poly [[tris (di-2-pyridylamine) tris (μ-5-sulfonatosalicylato) tricopper (II)] trihydrate].
Fan SR and Zhu LG.
Acta Crystallographica Section E, Structure Reports Online, 61(1), m174-m176 (2004)
M Vázquez et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 74, 349-359 (2014-12-03)
The mercurial forms [inorganic divalent mercury, Hg(II) and methylmercury, CH3Hg] produce neurological and immune effects as well as hematological and renal alterations. The main route of exposure is through the diet. Consequently, the gastrointestinal mucosa is exposed to these mercurial
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