Research chemical
CAS Number: 58811-92-0
Product details
For laboratory research and professional procurement workflows.
PubChem CID
70700120
Exact Mass
204.04563
InChIKey
HDUCBEFDSITHBU-UHFFFAOYSA-N
IUPAC Name
2,4-dimethylbenzenesulfonic acid;hydrate
SMILES String
CC1=CC(=C(C=C1)S(=O)(=O)O)C.O
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
2,4-Xylenesulfonic acid monohydrate is identified by CAS 58811-92-0, with molecular formula C8H12O4S, molecular weight 204.25, InChIKey HDUCBEFDSITHBU-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
13
H-bond acceptors
4
H-bond donors
3
Rotatable bonds
1
Ring count
1
Aromatic rings
1
Topological polar surface area
85.87 Ų
Computed LogP
0.73
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
Drug-like structure rule
Yes
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
2,4-Xylenesulfonic acid monohydrate (CAS 58811-92-0) is listed in the Advanced Chemicals portfolio, with molecular formula C8H12O4S and molecular weight 204. 25 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research building-block and synthetic chemistry workflows.
Documentation needs
SDS signal word: Warning; hazard codes: H315, H319; For research use only.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestShipment documentation review: By request