Research chemical
CAS Number: 188726-03-6
Product details
For laboratory research and professional procurement workflows.
PubChem CID
18677638
Exact Mass
251.036955
InChIKey
DTKJOGZRHRKOKP-UHFFFAOYSA-N
SMILES String
CC(F)(F)c1ccc(OC(F)(F)F)c(C#N)c1
Appearance
Colorless liquid
Physical State
Liquid
Melting Point
5.0 °C
Boiling Point
220.0 °C
Density
1.4 g/cm³
Water Solubility
Insoluble
Flash Point
95.0 °C
Vapor Pressure
Estimated value, unit not specified
Autoignition Temp
400.0 °C
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
17
H-bond acceptors
2
H-bond donors
0
Rotatable bonds
2
Ring count
1
Aromatic rings
1
Topological polar surface area
33.02 Ų
Computed LogP
3.57
Structural features
5-(1,1-Difluoroethyl)-2-(trifluoromethoxy)benzonitrile is a fluorinated benzonitrile derivative, characterized by a difluoroethyl group and a trifluoromethoxy substituent on a benzonitrile core.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
This fluorinated benzonitrile is suitable for use as a chemical intermediate or building block in various research applications, including the synthesis of novel pharmaceutical candidates, agrochemicals, or materials science investigations.
Documentation needs
Handle 5-(1,1-Difluoroethyl)-2-(trifluoromethoxy)benzonitrile with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation. Avoid contact with skin and eyes.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Procurement notes
MolGraph uses public price and availability evidence as a starting point, then confirms current stock, quotation, COA/SDS, lot specification, lead time, and shipment documentation before final acceptance.
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.
5-(1,1-Difluoroethyl)-2-(trifluoromethoxy)benzonitrile 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.
Compliance: standard-ruo
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.
DSL: pending; AICS: pending; ENCS: pending; ICSR: pending; TSCA: pending; IECSC: pending; INSQR: pending; REACH: pending; K-REACH: pending; SEA_Regulatory: pending
Registration values are catalog reference status cues and may require jurisdiction-specific review.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.