Basic information
- CAS
6201-75-8- Standard SMILES
CC1=NN(c2cc(S(=O)(=O)O)ccc2S(=O)(=O)c2ccc(O)c(C(=O)O)c2)C(=O)C1- InChIKey
SQFSKKWFISMBPH-UHFFFAOYSA-N- Molecular formula
- C17H14N2O9S2
- Average molar mass
- 454.4 g/mol
- Monoisotopic mass
- 454.01407238
Names & identifiers
- Preferred name
- 5-((2-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulphophenyl)sulphonyl)salicylic acid
- IUPAC
- 2-hydroxy-5-[2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-4-sulfophenyl]sulfonylbenzoic acid
- English name
- 5-[[2-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulphophenyl]sulphonyl]salicylic acid
- Molecular formula
- C17H14N2O9S2
- Molecular weight
- 454.43106
Names & synonyms
6201-75-85-((2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulphophenyl)sulphonyl)salicylic acidEINECS 228-258-1DTXSID302110615-[[2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulfophenyl]sulfonyl]-2-hydroxybenzoic acid5-[[2-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulphophenyl]sulphonyl]salicylic acid5-((2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulfophenyl)sulfonyl)-2-hydroxybenzoic acidRefChem:528524DTXCID30133552228-258-1HU7V42KMJ8SQFSKKWFISMBPH-UHFFFAOYSA-N
Show more names
5-[[2-(3-Methyl-5-oxo-2-pyrazolin-1-yl)-4-sulfophenyl]-sulfonyl] salicylic
Benzoic acid, 5-[[2-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulfophenyl]sulfonyl]-2-hydroxy-NS000348885-((2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulfophenyl)sulfonyl)salicylic acid2-Hydroxy-5-[2-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-4-sulfobenzene-1-sulfonyl]benzoic acid
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 949
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% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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