Research chemical
CAS Number: 4233-33-4
Product details
For laboratory research and professional procurement workflows.
PubChem CID
77913
Exact Mass
175.038176
InChIKey
ISULLEUFOQSBGY-UHFFFAOYSA-N
IUPAC Name
4-phenyl-1,2,4-triazole-3,5-dione
SMILES String
C1=CC=C(C=C1)N2C(=O)N=NC2=O
Water Solubility
11.9 mol/L
XLogP
1.8
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
13
H-bond acceptors
5
H-bond donors
0
Rotatable bonds
1
Ring count
2
Aromatic rings
1
Topological polar surface area
62.1 Ų
Computed LogP
2.2
Structural features
4-Phenyl-1,2,4-triazoline-3,5-dione (CAS 4233-33-4) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C8H5N3O2 and molecular weight 175. 14 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research-stage medicinal chemistry and intermediate synthesis workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
SDS signal word: Warning; hazard codes: H302; 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.
4-Phenyl-1,2,4-triazoline-3,5-dione 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
Yes
Lead-like structure rule
Yes
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 RequestSignal word: Warning
Supplier SDS reference cue; confirm supplier documentation before use.
Hazard statements: H302
Supplier SDS hazard code reference; confirm full text in supplier documentation.
Precautionary statements: P280, P305+P351+P338
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.