Basic information
- CAS
585-38-6- Standard SMILES
O=S(=O)(O)c1cccc(O)c1- InChIKey
ZCLXQTGLKVQKFD-UHFFFAOYSA-N- Molecular formula
- C6H6O4S
- Average molar mass
- 174.18 g/mol
- Monoisotopic mass
- 173.99867967
Overview
3-hydroxybenzenesulfonic acid is an arenesulfonic acid that is phenol substituted by a sulfo group at C-3. It has a role as a metabolite. It is functionally related to a phenol.
Names & identifiers
- Preferred name
- m-Phenolsulfonic acid
- IUPAC
- 3-hydroxybenzenesulfonic acid
- English name
- m-hydroxybenzenesulphonic acid
- Molecular formula
- C6H6O4S
- Molecular weight
- 174.17
Names & synonyms
m-Phenolsulfonic acid3-hydroxybenzenesulfonic acid585-38-6Benzenesulfonic acid, 3-hydroxy-m-Hydroxybenzenesulfonic acidUNII-YJU1H9LTR7YJU1H9LTR7Benzenesulfonic acid, m-hydroxy-EINECS 209-555-5NSC-508884DTXSID8060406CHEBI:71047
Show more names
RMA03309 RS3-Sulphophenol1-Phenol-3-sulfonic acid3-hydroxybenzenr sulfonic acidBenzenesulfonic acid,3-hydroxy-
NSC 508884RefChem:154885DTXCID0042400209-555-5m-Hydroxybenzenesulphonic acidPhenol-3-sulfonic acid3-hydroxybenzene-1-sulfonic acidPhenol-m-sulfosaure
Database identifiers
- CAS
585-38-6- PubChem CID
- 11451
- DTXSID
DTXSID8060406- ChEBI
CHEBI:71047- UNII
- YJU1H9LTR7
- EC Number
- 209-555-5
- Nikkaji
- J6.733D
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Density
- 1.574 · 1.574±0.06 g/cm3(Predicted)
- pka
- 9.07 · 9.07(at 25℃)
- FDA UNII
- 1 H9LTR7 · YJU1H9LTR7
- EPA Substance Registry System
- m-Phenolsulfonic acid (585-38-6)
- HS Code
- 2904100090 · 2904100090
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
- 2904100090
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers9 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
南雄市普强生物科技有限公司15702096460 13602449734 · [email protected]
上海普霖斯医药科技有限公司021-68080657 15921562525 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
1 records
Compound notes
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