Basic information
- CAS
3577-63-7- Standard SMILES
Nc1ccc(S(=O)(=O)O)cc1C(=O)O- InChIKey
MJNYPLCGWXFYPD-UHFFFAOYSA-N- Molecular formula
- C7H7NO5S
- Average molar mass
- 217.2 g/mol
- Monoisotopic mass
- 217.0044935
Overview
5-sulfoanthranilic acid is an off-pink powder. (NTP, 1992)
Names & identifiers
- Preferred name
- 5-Sulfoanthranilic acid
- IUPAC
- 2-amino-5-sulfobenzoic acid
- English name
- 5-Sulfoanthranilic acid
- Molecular formula
- C7H7NO5S
- Molecular weight
- 217.2
Names & synonyms
3577-63-75-SULFOANTHRANILIC ACIDBenzoic acid, 2-amino-5-sulfo-EINECS 222-697-2EC 222-697-24-Amino-3-carboxybenzenesulfonic acidDTXSID20260704-Sulfo-2-carboxyanilineAnthranilic acid, 5-sulfo-RefChem:103436DTXCID7060702-Amino-5-sulfobenzoic acid
Show more names
5-Sulfoanthranilic a5-Sulfoo-aminobenzoicacid2-amino-5-sulfo-benzoicaci5-Sulfoanthranilic Acid >Benzoic acid,2-aMino-5-sulfo-
5-Sulphoanthranilic acidMFCD000357632-Amino-5-sulfobenzoicacid2-amino-5-sulphobenzoic acidSCHEMBL3426002-azanyl-5-sulfo-benzoic acid2-amino-5-sulfo-benzoic acid2-Carboxy-4-sulfoaniline
Database identifiers
- CAS
3577-63-7- PubChem CID
- 19151
- DTXSID
DTXSID2026070- EC Number
- 222-697-2
- Nikkaji
- J8.171J
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 319
Experimental & physicochemical properties
Solubility10 to 50 mg/mL at 68.9 °F (NTP, 1992)
Physical Description5-sulfoanthranilic acid is an off-pink powder. (NTP, 1992)
Physicochemical properties
- Melting point
- 317 °C · 317 °C
- Density
- 1.709 · 1.709±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- pka
- -1.59 · -1.59±0.50(Predicted)
- color
- White to Light yellow to Light orange
- InChI
- InChI=1S/C7H7NO5S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3H,8H2,(H,9,10)(H,11,12,13)
- InChIKey
- MJNYPLCGWXFYPD-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC(S(O)(=O)=O)=CC=C1N
- CAS DataBase Reference
- 3577 · 3577-63-7(CAS DataBase Reference)
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 40% (2 of 5) of reports.
Warning
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 5-sulphoanthranilic acid (EC: 222-697-2)
Fire HazardsFlash point data for this material are not available, but it is probably combustible. (NTP, 1992)
Reactive GroupAcids, Carboxylic
Reactivity Profile5-SULFOANTHRANILIC ACID is an amino acid.
Air and Water ReactionsSoluble in hot water [Hawley]. Unstable to prolonged exposure to air (NTP, 1992).
Hazard Classes and CategoriesAcute Tox. 4 (20%)
Safety & protection
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-amino-5-sulfo-: ACTIVE
Applications
Description5-Sulfoanthranilic acid is produced from anthranilic acid by sulfonation with chlorosulfuric acid in anhydrous sulfuric acid or nitrobenzene or by baking the sulfate of anthranilic acid at 200 ℃. This compound is used, like its N-alkyl derivatives, as a stabilizer for diazo compounds.
Uses2-Amino-5-sulfobenzoic Acid can be used as a dye intermediate.
General DescriptionOff-pink powder.
Upstream & downstream products
Downstream products
Suppliers93 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波君龙新材料有限公司
Related reactions
2 records
Compound notes
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