5-Amino-3-sulphosalicylic acid
Basic information
- CAS
6201-87-2- Standard SMILES
Nc1cc(C(=O)O)c(O)c(S(=O)(=O)O)c1- InChIKey
MLPWLRUWQJVULT-UHFFFAOYSA-N- Molecular formula
- C7H7NO6S
- Average molar mass
- 233.2 g/mol
- Monoisotopic mass
- 232.99940812
Overview
5-amino-3-sulfosalicylic acid is a brown powder. (NTP, 1992)
Names & identifiers
- Preferred name
- 5-Amino-3-sulphosalicylic acid
- IUPAC
- 5-amino-2-hydroxy-3-sulfobenzoic acid
- English name
- 5-amino-3-sulphosalicylic acid
- Molecular formula
- C7H7NO6S
- Molecular weight
- 233.19858
Names & synonyms
5-AMINO-3-SULFOSALICYLIC ACID6201-87-25-amino-2-hydroxy-3-sulfobenzoic acid5-Amino-3-sulphosalicylic acidBenzoic acid, 5-amino-2-hydroxy-3-sulfo-CCRIS 3919DTXSID0024507EINECS 228-262-3NSC 16207DTXCID2045073-Amino-6-hydroxy-5-sulfobenzoic acidRefChem:532293
Show more names
MLPWLRUWQJVULT-UHFFFAOYSA-N3-sulfo-5-aminosalicylic acidBenzoic acid,5-amino-2-hydroxy-3-sulfo-
Benzoic acid, 5-amino-2-hydroxy-3-sulfo-(9CI)228-262-3Salicylic acid, 5-amino-3-sulfo-NSC-16207NSC16207L7ALQ6NHL85-Amino-3-sulfo-salizylsaureSCHEMBL342397
Database identifiers
- CAS
6201-87-2- PubChem CID
- 22574
- DTXSID
DTXSID0024507- ChEMBL
CHEMBL144614- UNII
- L7ALQ6NHL8
- EC Number
- 228-262-3
- Nikkaji
- J168.647J
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
Solubilityless than 1 mg/mL at 66 °F (NTP, 1992)
Physical Description5-amino-3-sulfosalicylic acid is a brown powder. (NTP, 1992)
Physicochemical properties
- EPA Substance Registry System
- 5 · 5-Amino-3-sulfosalicylic acid (6201-87-2)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P310-P305+P351+P338
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Fire HazardsFlash point data for this chemical is not available, however it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and mucous membranes.
Reactive GroupAcids, Carboxylic
Reactivity Profile5-AMINO-3-SULFOSALICYLIC ACID may react with strong oxidizing agents, with mineral acids or bases (NTP, 1992).
Air and Water ReactionsMay be sensitive to prolonged exposure to air. Insoluble in water.
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety & protection
Fire FightingFires involving this compound can be controlled using a dry chemical, carbon dioxide, or Halon extinquisher. (NTP, 1992)
First Aid
Chemistry & industry
Applications
General DescriptionBrown powder.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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