Research chemical
CAS Number: 1607-17-6
Product details
For laboratory research and professional procurement workflows.
PubChem CID
15353
Exact Mass
271.028793
InChIKey
BRBAEHHXGZRCBK-UHFFFAOYSA-N
IUPAC Name
[2-(hydroxymethyl)-3-nitrooxy-2-(nitrooxymethyl)propyl] nitrate
SMILES String
C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])O
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
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.
Pentaerythritol, trinitrate is identified by CAS 1607-17-6, with molecular formula C5H9N3O10, molecular weight 271.14, InChIKey BRBAEHHXGZRCBK-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.
Heavy atom count
18
H-bond acceptors
13
H-bond donors
1
Rotatable bonds
10
Ring count
0
Aromatic rings
0
Topological polar surface area
177.34 Ų
Computed LogP
-1.41
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
organic nitrogen ligand candidate
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
Pentaerythritol, trinitrate (CAS 1607-17-6) is maintained as a commercial cas reference with formula C5H9N3O10, molecular weight 271. 14 g/mol, PubChem CID 15353.
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.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.