3-Amino-5-sulfosalicylic acid
Basic information
- CAS
6201-86-1- Standard SMILES
Nc1cc(S(=O)(=O)O)cc(C(=O)O)c1O- InChIKey
ZLTOYIGWKLTQBJ-UHFFFAOYSA-N- Molecular formula
- C7H7NO6S
- Average molar mass
- 233.2 g/mol
- Monoisotopic mass
- 232.99940812
Overview
3-amino-5-sulfosalicylic acid is a crystalline solid. Used in the spectrofluorimetric determination of aluminum.
Names & identifiers
- Preferred name
- 3-Amino-5-sulfosalicylic acid
- IUPAC
- 3-amino-2-hydroxy-5-sulfobenzoic acid
- English name
- 3-Amino-5-sulfosalicylic acid
- Molecular formula
- C7H7NO6S
- Molecular weight
- 233.2
Names & synonyms
3-amino-2-hydroxy-5-sulfobenzoic acid3-AMINO-5-SULFOSALICYLIC ACID3-Amino-5-sulphosalicylic acid9T7FZR32GZEINECS 228-261-8DTXSID8074863Salicylic acid, 3-amino-5-sulfo-RefChem:92931DTXCID00432146201-86-1Benzoic acid, 3-amino-2-hydroxy-5-sulfo-Aminosulfosalicylsaure
Show more names
3-Amino-5-sulfosalicylico-Aminosulfosalicylic acid3-amino-5-sulfo salicylique3-amino-5-sulphosalicylicacid3-Amino-5-sulfosalicyclicacid3-Amino-2-hydroxy-5-sulfobenzoesure
UNII-9T7FZR32GZ3-Amino-5-sulfosalicyic acidSCHEMBL7827859ZLTOYIGWKLTQBJ-UHFFFAOYSA-NSTK672221AKOS0055927503-amino-2-hydroxy-5-sulfo-benzoic acidST052021
Database identifiers
- CAS
6201-86-1- PubChem CID
- 22573
- DTXSID
DTXSID8074863- UNII
- 9T7FZR32GZ
- EC Number
- 228-261-8
- Nikkaji
- J168.642I
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 347
Experimental & physicochemical properties
Physical Description3-amino-5-sulfosalicylic acid is a crystalline solid. Used in the spectrofluorimetric determination of aluminum.
Physicochemical properties
- Density
- 1.858 · 1.858±0.06 g/cm3(Predicted)
- pka
- -1.2 · -1.20±0.50(Predicted)
- Stability
- Stable. Combustible. Incompatible with strong oxidizing agents.
- CAS DataBase Reference
- 6201 · 6201-86-1(CAS DataBase Reference)
- FDA UNII
- 9 T7FZR32GZ · 9T7FZR32GZ
- EPA Substance Registry System
- 3 · 3-Amino-5-sulfosalicylic acid (6201-86-1)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
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
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Danger
H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Reactive GroupAcids, Strong Oxidizing
Reactivity Profile3-AMINO-5-SULFOSALICYLIC ACID may react with strong oxidizers and mineral acids or bases. (NTP, 1992)
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and CategoriesSkin Corr. 1B (66.7%)
Safety & protection
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Chemistry & industry
Applications
General DescriptionCrystalline solid. Used in the spectrofluorimetric determination of aluminum.
Upstream & downstream products
Downstream products
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Compound notes
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