Research chemical
CAS Number: 941716-96-7
Product details
For laboratory research and professional procurement workflows.
PubChem CID
24229744
Exact Mass
341.047519
InChIKey
UEOKRSIJVAQHID-UHFFFAOYSA-N
IUPAC Name
(2,3,4,5,6-pentafluorophenyl) 1-methylindole-7-carboxylate
SMILES String
Cn1ccc2cccc(C(=O)Oc3c(F)c(F)c(F)c(F)c3F)c21
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.
Pentafluorophenyl 1-methyl-1H-indole-7-carboxylate is identified by CAS 941716-96-7, with molecular formula C16H8F5NO2, molecular weight 341.23, InChIKey UEOKRSIJVAQHID-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.
White to off-white solid
Physical State
Solid
Melting Point
120.0 °C
Boiling Point
342.0 °C
Density
1.65 g/cm³
Water Solubility
Insoluble
Flash Point
201.0 °C
Vapor Pressure
Estimated very low; unit not specified
Autoignition Temp
450.0 °C
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
24
H-bond acceptors
3
H-bond donors
0
Rotatable bonds
2
Ring count
3
Aromatic rings
3
Topological polar surface area
31.23 Ų
Computed LogP
4.09
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.
Structural features
Pentafluorophenyl 1-methyl-1H-indole-7-carboxylate (CAS 941716-96-7) is a research-use chemical with the formula C16H8F5NO2 and a molecular weight of 341. 23.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Pentafluorophenyl 1-methyl-1H-indole-7-carboxylate is suitable for research applications in organic synthesis, medicinal chemistry, and materials science.
Documentation needs
Handle Pentafluorophenyl 1-methyl-1H-indole-7-carboxylate in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat. Avoid inhalation, ingestion, and skin contact.
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 RequestCompliance: 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.Review preliminary safety reference
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.