Research chemical
CAS Number: 612042-42-9
![5-[2-(Trifluoromethyl)benzenesulfonamido]benzene-1,3-dicarboxylic acid molecular structure, CAS 612042-42-9](/structure-images/612042-42-9.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
1190495
Exact Mass
389.018093
InChIKey
WSIXESJELOWBSM-UHFFFAOYSA-N
IUPAC Name
5-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid
SMILES String
O=C(O)c1cc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc(C(=O)O)c1
No physical property values available.
XLogP
2.4
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
26
H-bond acceptors
7
H-bond donors
3
Rotatable bonds
5
Ring count
2
Aromatic rings
2
Topological polar surface area
120.77 Ų
Computed LogP
2.9
Structural features
5-[2-(Trifluoromethyl)benzenesulfonamido]benzene-1,3-dicarboxylic acid (CAS 612042-42-9) is listed in the Materials Science portfolio, with molecular formula C15H10F3NO6S and molecular weight 389. 30 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for materials chemistry research and formulation screening workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
SDS signal word: Warning; hazard codes: H302, H312, H332; For research use only.
Procurement notes
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Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.
Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Final quote depends on quantity, lead time, destination, and supplier confirmation.
5-[2-(Trifluoromethyl)benzenesulfonamido]benzene-1,3-dicarboxylic acid is listed as in-stock / available for research-use sourcing review. Final availability, lot specification, and lead time are confirmed by RFQ.
The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
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.
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 RequestSupplier SDS reference cue; confirm supplier documentation before use.
Hazard statements: H302, H312, H332
Supplier SDS hazard code reference; confirm full text in supplier documentation.
Precautionary statements: P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P330, P363, P501
Supplier SDS precautionary code reference; confirm full text in supplier documentation.
Shipment review: Required
Certificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference
Additional text reference cues are not available for this catalog entry.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.