Research chemical
CAS Number: 19314-80-8
![2,4,7,9-Tetrachloro-3,8-dimethoxy-1,6-dimethyl-11H-dibenzo[b,E][1,4]dioxepin-11-one molecular structure, CAS 19314-80-8](/structure-images/19314-80-8.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
634078
Exact Mass
437.940934
InChIKey
PPFWMXVOIABRTP-UHFFFAOYSA-N
IUPAC Name
2,4,8,10-tetrachloro-3,9-dimethoxy-1,7-dimethylbenzo[b][1,4]benzodioxepin-6-one
SMILES String
CC1=C2C(=C(C(=C1Cl)OC)Cl)OC3=C(C(=C(C(=C3OC2=O)Cl)OC)Cl)C
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
2,4,7,9-Tetrachloro-3,8-dimethoxy-1,6-dimethyl-11H-dibenzo[b,E][1,4]dioxepin-11-one is identified by CAS 19314-80-8, with molecular formula C17H12Cl4O5, molecular weight 438.1, InChIKey PPFWMXVOIABRTP-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
26
H-bond acceptors
5
H-bond donors
0
Rotatable bonds
2
Ring count
3
Aromatic rings
2
Topological polar surface area
53.99 Ų
Computed LogP
6.26
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
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
2,4,7,9-Tetrachloro-3,8-dimethoxy-1,6-dimethyl-11H-dibenzo[b,E][1,4]dioxepin-11-one (CAS 19314-80-8) is maintained as a commercial cas reference with formula C17H12Cl4O5, molecular weight 438. 10 g/mol, PubChem CID 634078.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
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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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