Research chemical
CAS Number: 81972-27-2
![[3-(1,2,2-Trichloroethenyl)phenyl]azanium;chloride molecular structure, CAS 81972-27-2](/structure-images/81972-27-2.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
5743704
Exact Mass
258.93031
InChIKey
RXKNTFGQXQGYDW-UHFFFAOYSA-N
IUPAC Name
[3-(1,2,2-trichloroethenyl)phenyl]azanium chloride
SMILES String
C1=CC(=CC(=C1)[NH3+])C(=C(Cl)Cl)Cl.[Cl-]
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
13
H-bond acceptors
1
H-bond donors
3
Rotatable bonds
1
Ring count
1
Aromatic rings
1
Topological polar surface area
27.64 Ų
Computed LogP
-0.09
Structural features
[3-(1,2,2-Trichloroethenyl)phenyl]azanium;chloride (CAS 81972-27-2) is listed in the Advanced Chemicals portfolio, with molecular formula C8H7Cl4N and molecular weight 259. 00 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
SDS signal word: Danger; hazard codes: H314, H318; For research use only.
Procurement notes
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Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.
Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Final quote depends on quantity, lead time, destination, and supplier confirmation.
[3-(1,2,2-Trichloroethenyl)phenyl]azanium;chloride is listed as in-stock / available for research-use sourcing review. Final availability, lot specification, and lead time are confirmed by RFQ.
The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
Drug-like structure rule
Yes
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.
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 RequestCertificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference
Additional text reference cues are not available for this catalog entry.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.