1H-indazole-5-sulfonic acid
Basic information
- CAS
98550-01-7- Standard SMILES
O=S(=O)(O)c1ccc2[nH]ncc2c1- InChIKey
MXWSQZWVKUTEEI-UHFFFAOYSA-N- Molecular formula
- C7H6N2O3S
- Average molar mass
- 198.2 g/mol
- Monoisotopic mass
- 198.00991323
Names & identifiers
- Preferred name
- 1H-indazole-5-sulfonic acid
- IUPAC
- 1H-indazole-5-sulfonic acid
- English name
- 1H-Indazole-5-sulfonic acid
- Molecular formula
- C7H6N2O3S
- Molecular weight
- 198.2
Names & synonyms
1H-indazole-5-sulfonic acid98550-01-75-Isoindazolesulfonic acid1H-Indazole-5-sulfonicacidMFCD13176738SCHEMBL3058692DTXSID40332650MB12342DS-021791F177561(2)H-indazole-5-sulfonic acid
Database identifiers
- CAS
98550-01-7- PubChem CID
- 459470
- DTXSID
DTXSID40332650
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Melting point
- 300 °C · >300 °C
- Density
- 1.681 · 1.681±0.06 g/cm3(Predicted)
- pka
- -0.53 · -0.53±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
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Related reactions
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Compound notes
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