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Safety Information

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:
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

Signal Word

Danger

Hazard Statements

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

86195-250G:
Q86195-VAR:
86195-BULK:
86195-6X1KG:
Q86195-BULK:
86195-50G:
86195-6X250G:
86195-VAR:
86195-1KG:

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Certificates of Analysis (COA)

Lot/Batch Number
BCCF9318
BCCC6287
BCBT7956
BCBR6310V
BCBQ0408V

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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)
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
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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