2-Phenylethane-1-sulfonic acid
Basic information
- CAS
34292-93-8- Standard SMILES
O=S(=O)(O)CCc1ccccc1- InChIKey
ZTJLYUVAFAMUKO-UHFFFAOYSA-N- Molecular formula
- C8H10O3S
- Average molar mass
- 186.23 g/mol
- Monoisotopic mass
- 186.03506535
Names & identifiers
- Preferred name
- 2-Phenylethane-1-sulfonic acid
- IUPAC
- 2-phenylethanesulfonic acid
Names & synonyms
2-phenylethane-1-sulfonic acidRefChem:478164853-852-82-phenylethanesulfonic acid34292-93-8Benzeneethanesulfonic acid2-Phenyl-athansulfonsaure2-phenylethane-1-sulfonicacidSCHEMBL248501SCHEMBL293747SCHEMBL1356001SCHEMBL2172627
Show more names
SCHEMBL5791201SCHEMBL9153739SCHEMBL9473446CHEMBL3800698DTXSID301347622AKOS016371025DS-013561CS-0260297
Database identifiers
- CAS
34292-93-8- PubChem CID
- 417606
- DTXSID
DTXSID301347622- ChEMBL
CHEMBL3800698- EC Number
- 853-852-8
- Nikkaji
- J1.838.542B
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 209
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…