Research chemical
CAS Number: 71598-32-8
![Chromate(1-), bis[2-[2-[1-(2-ethylphenyl)-4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazol-4-yl]diazenyl-kappaN1]benzoato(2-)-kappaO]-, hydrogen (1:1) molecular structure, CAS 71598-32-8](/structure-images/71598-32-8.png?v=struct-v3)
Product details
PubChem CID
172848
Exact Mass
749.192811
InChIKey
IHKIIKSEYVZYBD-UHFFFAOYSA-K
IUPAC Name
chromium(3+);bis(2-[[1-(2-ethylphenyl)-3-methyl-5-oxidopyrazol-4-yl]diazenyl]benzoate);hydron
SMILES String
[H+].CCC1=CC=CC=C1N2C(=C(C(=N2)C)N=NC3=CC=CC=C3C(=O)[O-])[O-].CCC1=CC=CC=C1N2C(=C(C(=N2)C)N=NC3=CC=CC=C3C(=O)[O-])[O-].[Cr+3]
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.
Chromate(1-), bis[2-[2-[1-(2-ethylphenyl)-4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazol-4-yl]diazenyl-kappaN1]benzoato(2-)-kappaO]-, hydrogen (1:1) is identified by CAS 71598-32-8, with molecular formula C38H33CrN8O6, molecular weight 749.7, InChIKey IHKIIKSEYVZYBD-UHFFFAOYSA-K.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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For laboratory research and professional procurement workflows.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
53
H-bond acceptors
14
H-bond donors
0
Rotatable bonds
10
Ring count
6
Aromatic rings
6
Topological polar surface area
211.46 Ų
Computed LogP
5.3
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
transition metal catalyst or complex
Precious metal motif
No
Transition metal motif
Yes
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
Chromate(1-), bis[2-[2-[1-(2-ethylphenyl)-4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazol-4-yl]diazenyl-kappaN1]benzoato(2-)-kappaO]-, hydrogen (1:1) (CAS 71598-32-8) is maintained as a commercial cas reference with formula C38H33CrN8O6, molecular weight 749.
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, transition-metal-containing structure.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.