Research chemical
CAS Number: 350251-70-6
![1,4-Benzenedicarboxylic acid, 2-nitro-, 1,4-bis[4-[[[4-(2-phenyldiazenyl)phenyl]imino]methyl]phenyl] ester molecular structure, CAS 350251-70-6](/structure-images/350251-70-6.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
4011821
Exact Mass
777.233582
InChIKey
HFCRKJUWDMUWDC-UHFFFAOYSA-N
IUPAC Name
bis[4-[(4-phenyldiazenylphenyl)iminomethyl]phenyl] 2-nitrobenzene-1,4-dicarboxylate
SMILES String
O=C(Oc1ccc(C=Nc2ccc(N=Nc3ccccc3)cc2)cc1)c1ccc(C(=O)Oc2ccc(C=Nc3ccc(N=Nc4ccccc4)cc3)cc2)c([N+](=O)[O-])c1
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.
1,4-Benzenedicarboxylic acid, 2-nitro-, 1,4-bis[4-[[[4-(2-phenyldiazenyl)phenyl]imino]methyl]phenyl] ester is identified by CAS 350251-70-6, with molecular formula C46H31N7O6, molecular weight 777.8, InChIKey HFCRKJUWDMUWDC-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
59
H-bond acceptors
13
H-bond donors
0
Rotatable bonds
13
Ring count
7
Aromatic rings
7
Topological polar surface area
169.9 Ų
Computed LogP
12.37
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
1,4-Benzenedicarboxylic acid, 2-nitro-, 1,4-bis[4-[[[4-(2-phenyldiazenyl)phenyl]imino]methyl]phenyl] ester (CAS 350251-70-6) is maintained as a commercial cas reference with formula C46H31N7O6, molecular weight 777. 80 g/mol, PubChem CID 4011821.
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.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.