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390275

Sigma-Aldrich

5-Sulfosalicylic acid hydrate

95%

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About This Item

Linear Formula:
HO3SC6H3-2-(OH)CO2H·xH2O
CAS Number:
Molecular Weight:
218.18 (anhydrous basis)
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

95%

form

solid

SMILES string

O.OC(=O)c1cc(ccc1O)S(O)(=O)=O

InChI

1S/C7H6O6S.H2O/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);1H2

InChI key

PAUDQWJTTVPGHZ-UHFFFAOYSA-N

Application

5-Sulfosalicylic acid hydrate can be used in the synthesis of hydrated complexes with benzotriazole, N, N′-dimethylpiperazine and N-methylpiperazine for the study of hydrogen bonding in supramolecular crystal structure.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Cocrystallization of N-donor type compounds with 5-sulfosalicylic acid: The effect of hydrogen-bonding supramolecular architectures
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