Research chemical
CAS Number: 113402-31-6
Product details
For laboratory research and professional procurement workflows.
PubChem CID
29933425
Exact Mass
319.110947
InChIKey
NIJQDIWAJCTWAB-UHFFFAOYSA-N
IUPAC Name
4-[bis(4-cyanophenyl)methyl]benzonitrile
SMILES String
N#Cc1ccc(C(c2ccc(C#N)cc2)c2ccc(C#N)cc2)cc1
No physical property values available.
XLogP
4.5
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
25
H-bond acceptors
3
H-bond donors
0
Rotatable bonds
3
Ring count
3
Aromatic rings
3
Topological polar surface area
71.37 Ų
Computed LogP
4.48
Structural features
4,4',4''-Methanetriyltribenzonitrile (CAS 113402-31-6) is listed in the Materials Science portfolio, with molecular formula C22H13N3 and molecular weight 319. 40 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for materials chemistry research and formulation screening workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
SDS signal word: Warning; hazard codes: H302; For research use only.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
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.
4,4',4''-Methanetriyltribenzonitrile 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
No
Lead-like structure rule
No
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 RequestSignal word: Warning
Supplier SDS reference cue; confirm supplier documentation before use.
Hazard statements: H302
Supplier SDS hazard code reference; confirm full text in supplier documentation.
Precautionary statements: P280, P305+P351+P338
Supplier SDS precautionary code reference; confirm full text in supplier documentation.
Shipment review: Required
Certificate 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.