Research chemical
CAS Number: 61931-83-7
![Benzenesulfonic acid, 4-[4,5-dihydro-4-[2-(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:1) molecular structure, CAS 61931-83-7](/structure-images/61931-83-7.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
112462
Exact Mass
455.051163
InChIKey
OJGQFVLZBNVKPQ-UHFFFAOYSA-M
IUPAC Name
sodium 4-[4-[(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
SMILES String
CC1=CC(=C(C(=C1)[N+](=O)[O-])O)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C.[Na+]
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Benzenesulfonic acid, 4-[4,5-dihydro-4-[2-(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:1) is identified by CAS 61931-83-7, with molecular formula C17H14N5NaO7S, molecular weight 455.4, InChIKey OJGQFVLZBNVKPQ-UHFFFAOYSA-M.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
31
H-bond acceptors
12
H-bond donors
1
Rotatable bonds
5
Ring count
3
Aromatic rings
2
Topological polar surface area
177.96 Ų
Computed LogP
-0.61
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
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.
Structural features
Benzenesulfonic acid, 4-[4,5-dihydro-4-[2-(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:1) (CAS 61931-83-7) is maintained as a commercial cas reference with formula C17H14N5NaO7S, molecular weight 455.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.