Sulfosalicylic Acid
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Basic information
- CAS
97-05-2- Standard SMILES
O=C(O)c1cc(S(=O)(=O)O)ccc1O- InChIKey
YCPXWRQRBFJBPZ-UHFFFAOYSA-N- Molecular formula
- C7H6O6S
- Average molar mass
- 218.19 g/mol
- Monoisotopic mass
- 217.98850908
Overview
5-sulfosalicylic acid is an arenesulfonic acid that is benzoic acid substituted by a hydroxy at position C-2 and a sulfo group at C-5. It has a role as a metabolite. It is a member of benzoic acids, an arenesulfonic acid and a member of phenols. It is functionally related to a phenol and a benzoic acid.
Names & identifiers
- Preferred name
- Sulfosalicylic Acid
- IUPAC
- 2-hydroxy-5-sulfobenzoic acid
- English name
- Sulfosalicylic acid
- Molecular formula
- C7H6O6S
- Molecular weight
- 218.18
Names & synonyms
5-Sulfosalicylic acid2-Hydroxy-5-sulfobenzoic acid97-05-2SULFOSALICYLIC ACIDSalicylsulfonic acidBenzoic acid, 2-hydroxy-5-sulfo-Sulphosalicylic acid2-Hydroxybenzoic-5-sulfonic acid3-Carboxy-4-hydroxybenzenesulfonic acidKalcolor anodizing acidL8XED79U3UNSC-190565
Show more names
5-Sulfosalicylic2-Hydroxy-5-sulfo-benzoic acidcp18121TIMTEC-BB SBB0089275-sulfo-salicylicaci3-Sulfosalicylicacid
DTXSID7059145CHEBI:685553-carboxy-4-hydroxybenzenesulfonateRefChem:889703DTXCID1049015202-555-65-Sulphosalicylic acidSalicylic acid, sulfo-
Database identifiers
- CAS
97-05-2- PubChem CID
- 7322
- DTXSID
DTXSID7059145- ChEMBL
CHEMBL2107580、CHEMBL229241- ChEBI
CHEBI:68555
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 316
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Organic Acids
Melting Point120 °C
Physical Description
Dihydrate: White solid; [Merck Index] White odorless powder; [Mallinckrodt Baker MSDS]
Solid
Physicochemical properties
- Melting point
- 120 °C · 120°C
- Boiling point
- 328.86 °C · 328.86°C (rough estimate)
- Density
- 1.7563 · 1.7563 (rough estimate)
- vapor pressure
- 0.005 Pa · 0.005Pa at 20℃
- refractive index
- 1.53 · 1.5300 (estimate)
- pka
- -0.62 · -0.62±0.50(Predicted)
- form
- Liquid
- color
- Clear
- Water Solubility
- 987 g/L · 987g/L at 20℃
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (96.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 2167 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzoic acid, 2-hydroxy-5-sulfo-
REACH registered substance: 5-sulphosalicylic acid (EC: 202-555-6)
Benzoic acid, 2-hydroxy-5-sulpho-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and mucous membrane irritant; [Merck Index] An irritant; [Mallinckrodt Baker MSDS] See Salicylic acid.
Hazard Classes and CategoriesSkin Irrit. 2 (96.4%)
Safety & protection
Protective Action Criteria (PAC)
5.6 [mg/m3]
61 [mg/m3]
370 [mg/m3]
Safety data
- tsca
- TSCA listed
- ridadr
- UN 1760
- Signal word
- Danger
- Symbol(GHS)
- GHS05
Chemistry & industry
Pharmacology
Tissue LocationsProstate
Uses & manufacturing
UsesUsed as a clinical reagent (albumin in urine) and colorimetric reagent (ferric ion); [Merck Index]
General Manufacturing InformationBenzoic acid, 2-hydroxy-5-sulfo-: ACTIVE
Applications
UsesSulfosalicylic Acid is a benzoic acid derivative with acetylcholinesterase inhibitory properties.
UsesReagent for albumin, colorimetric reagent for ferric ion, intermediate for dyes, surfactants, catalysts, grease additives.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
6 records
Compound notes
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