5-((2-Amino-4-sulphophenyl)sulphonyl)salicylic acid
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Basic information
- CAS
6421-84-7- Standard SMILES
Nc1cc(S(=O)(=O)O)ccc1S(=O)(=O)c1ccc(O)c(C(=O)O)c1- InChIKey
WAGGRALYROLUGE-UHFFFAOYSA-N- Molecular formula
- C13H11NO8S2
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 372.99260866
Names & identifiers
- Preferred name
- 5-((2-Amino-4-sulphophenyl)sulphonyl)salicylic acid
- IUPAC
- 5-(2-amino-4-sulfophenyl)sulfonyl-2-hydroxybenzoic acid
- English name
- 5-[(2-amino-4-sulphophenyl)sulphonyl]salicylic acid
- Molecular formula
- C13H11NO8S2
- Molecular weight
- 373.36
Names & synonyms
6421-84-75-((2-Amino-4-sulphophenyl)sulphonyl)salicylic acidEINECS 229-173-25-[(2-AMINO-4-SULPHOPHENYL)SULPHONYL]SALICYLIC ACIDDTXSID60214424RefChem:528529DTXCID60136915229-173-25-(2-amino-4-sulfophenyl)sulfonyl-2-hydroxybenzoic acidWAGGRALYROLUGE-UHFFFAOYSA-NNS000471575-(2-Amino-4-sulfobenzene-1-sulfonyl)-2-hydroxybenzoic acid
Show more names
2'-Amino-3-carboxy-4-hydroxy-4'-sulfodiphenylsulfon2-hydroxy-5-(2-amino-4-sulfophenylsulfonyl)benzoic acid5-[(2-Amino-4-sulfophenyl)sulfonyl]-2-hydroxybenzoic acid5-(2-amino-4-sulfo-benzenesulfonyl)-2-hydroxy-benzoic acidBenzoic acid, 5-[(2-amino-4-sulfophenyl)sulfonyl]-2-hydroxy-2''-Amino-3-carboxy-4-hydroxydiphenylsulfone-4''-sulfonic acid
Database identifiers
- CAS
6421-84-7- PubChem CID
- 80891
- DTXSID
DTXSID60214424- EC Number
- 229-173-2
- Nikkaji
- J207.034K
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 678
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 100% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
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Compound notes
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