Research chemical
CAS Number: 71598-33-9
![Chromate(1-), [2-(3-chlorophenyl)-2,4-dihydro-4-[2-[2-(hydroxy-kappaO)-5-(methylsulfonyl)phenyl]diazenyl-kappaN1]-5-methyl-3H-pyrazol-3-onato(2-)-kappaO3][N-[7-(hydroxy-kappaO)-8-[2-[2-(hydroxy-kappaO)-5-(methylsulfonyl)phenyl]diazenyl-kappaN1]-1-naphthalenyl]acetamidato(2-)]-, hydrogen (1:1) molecular structure, CAS 71598-33-9](/structure-images/71598-33-9.png?v=struct-v3)
PubChem CID
172850
Exact Mass
854.056175
InChIKey
GTRGTKTWILDZSX-UHFFFAOYSA-K
IUPAC Name
8-acetamido-1-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]naphthalen-2-olate;1-(3-chlorophenyl)-3-methyl-4-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]pyrazol-5-olate;chromium(3+);hydron
SMILES String
[H+].CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)C)[O-])[O-])C3=CC(=CC=C3)Cl.CC(=O)NC1=CC=CC2=C1C(=C(C=C2)[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)C)[O-].[Cr+3]
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-), [2-(3-chlorophenyl)-2,4-dihydro-4-[2-[2-(hydroxy-kappaO)-5-(methylsulfonyl)phenyl]diazenyl-kappaN1]-5-methyl-3H-pyrazol-3-onato(2-)-kappaO3][N-[7-(hydroxy-kappaO)-8-[2-[2-(hydroxy-kappaO)-5-(methylsulfonyl)phenyl]diazenyl-kappaN1]-1-naphthalenyl]acetamidato(2-)]-, hydrogen (1:1) is identified by CAS 71598-33-9, with molecular formula C36H29ClCrN7O9S2, molecular weight 855.2, InChIKey GTRGTKTWILDZSX-UHFFFAOYSA-K.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Product details
For laboratory research and professional procurement workflows.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
56
H-bond acceptors
16
H-bond donors
1
Rotatable bonds
8
Ring count
6
Aromatic rings
6
Topological polar surface area
256.88 Ų
Computed LogP
5.67
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
20 g/mol, PubChem CID 172850.
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.
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.