Research chemical
CAS Number: 104127-76-6
Product details
For laboratory research and professional procurement workflows.
PubChem CID
3653816
Exact Mass
360.127917
InChIKey
JNQMUMNJRCNSAI-UHFFFAOYSA-N
IUPAC Name
prop-2-enyl 2-(triphenyl-lambda5-phosphanylidene)acetate
SMILES String
C=CCOC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
Appearance
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Allyl (triphenylphosphoranylidene)acetate is identified by CAS 104127-76-6, with molecular formula C23H21O2P, molecular weight 360.4, InChIKey JNQMUMNJRCNSAI-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.
Solid
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
26
H-bond acceptors
2
H-bond donors
0
Rotatable bonds
6
Ring count
3
Aromatic rings
3
Topological polar surface area
26.3 Ų
Computed LogP
3.51
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
phosphine ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
Yes
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
Allyl (triphenylphosphoranylidene)acetate (CAS 104127-76-6) is maintained as a cataloged research chemical with formula C23H21O2P, molecular weight 360. 40 g/mol, PubChem CID 3653816.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; structure-derived tags include phosphine-ligand motif, drug-like rule profile.
Documentation needs
SDS signal word: Danger; hazard codes: H301, H315, H319, H335; for research use only.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS Request