3-iodobenzenesulfonic Acid
Basic information
- CAS
50702-37-9- Standard SMILES
O=S(=O)(O)c1cccc(I)c1- InChIKey
BNQPGPMRORGVHG-UHFFFAOYSA-N- Molecular formula
- C6H5IO3S
- Average molar mass
- 284.07 g/mol
- Monoisotopic mass
- 283.90041
Names & identifiers
- Preferred name
- 3-iodobenzenesulfonic Acid
- IUPAC
- 3-iodobenzenesulfonic acid
- English name
- 3-Iodobenzenesulfonic acid
- Molecular formula
- C6H5IO3S
- Molecular weight
- 284.07
Names & synonyms
3-iodobenzenesulfonic Acid50702-37-93-iodobenzene-1-sulfonic acid3-IodobenzenesulfonicacidMFCD09788595Benzenesulfonic acid, 3-iodo-SCHEMBL3371316SCHEMBL8960195SCHEMBL27965475DTXSID00388799AR3554AKOS027254616
Show more names
AS-45635CS-0171143
Database identifiers
- CAS
50702-37-9- PubChem CID
- 3039729
- DTXSID
DTXSID00388799
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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