Research chemical

Pentafluorophenyl 1-methyl-1H-indole-7-carboxylate

CAS Number: 941716-96-7

Product details

Identity & specification

Molecular formula: C16H8F5NO2
Molecular weight: 341.23 g/mol
Product type: Research-use catalog compound
Documentation: COA / SDS available by request

For laboratory research and professional procurement workflows.

Technical identifiers

Show PubChem, InChIKey, IUPAC, and SMILES

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

Physical Properties

Appearance

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

Show more physical data

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.

Computed Structure Descriptors

Show calculated structure fields

Heavy atom count

H-bond acceptors

H-bond donors

Rotatable bonds

Ring count

Aromatic rings

Topological polar surface area

31.23 Å²

Computed LogP

4.09

Fragment-like structure rule

Lead-like structure rule

Drug-like structure rule

Yes

Structure family

n heterocycle ligand

Precious metal motif

Transition metal motif

Phosphine ligand motif

N-heterocycle motif

Yes

Boronic acid motif

Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.

Catalog Facts

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.

Applications & Classification

Research intermediateCustom synthesis building blockPharmaceutical intermediate researchResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

Handling & Storage

Store in a well-ventilated area.

PPE

Respiratory protection if needed

First Aid

Do not give anything to an unconscious person.
Rinse mouth with water.

Stability / Reactivity

and reaction activity.
carbon monoxide, carbon dioxide, hydrogen fluoride, nitrogen oxides.

Disposal

The remaining and non-recyclable solution should be handed over to a licensed company for disposal.
Contact a professional institution with a waste disposal license to handle this substance.

Show additional safety reference fields

Fire Fighting

Use self-contained breathing apparatus if necessary.

Accidental Release

Do not generate dust when collecting and disposing.
Sweep and shovel up.

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 Request

Synonyms & references

Names & Synonyms

1-methyl-7-indolecarboxylic acid (2,3,4,5,6-pentafluorophenyl) esterC16H8F5NO22,3,4,5,6-pentafluorophenyl 1-methyl-1H-indole-7-carboxylate

External Identifiers

DSSTOX SUBSTANCE ID: DTXSID20640447WIKIDATA ID: Q82550803MFCD09879962DTXSID20640447MS-22646DB-079805

Documentation & Compliance Facts

Compliance Facts

HS Code: 293399

Signal word: Warning

Supplier SDS reference cue; confirm supplier documentation before use.

GHS pictograms

Hazard statements: H302, H315, H319, H335

Supplier SDS hazard code reference; confirm full text in supplier documentation.

Precautionary statements: P261, P264, P270, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P330, P362, P403+P233, P501

Supplier SDS precautionary code reference; confirm full text in supplier documentation.

Compliance: standard-ruo

Shipment review: Required

Documentation available by request

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

Registration Status

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.

What happens after RFQ

1We review the CAS identity, quantity, and documentation request.
2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
3We review destination and shipment documentation needs when applicable.
4We follow up with a quotation or clarification request.

Text Reference Cues

Show non-linked catalog cues

Non-public related references

N-[3,5-bis(trifluoromethyl)phenyl]-1,2,3-thiadiazole-4-carboxamideCAS 252949-83-0

N-(1H-benzimidazol-2-ylmethyl)-2,3,4,5,6-pentafluorobenzamideCAS 377053-67-3

1-[2,6-Bis(trifluoromethyl)pyridine-4-carbonyl]-4-methylpiperazineCAS 1092346-70-7

2-{[3,5-Bis(trifluoromethyl)phenyl]carbamoyl}cyclopropane-1-carboxylic acidCAS 1024329-33-6

8-(3,5-Bis(trifluoromethyl)benzyl)-2,5-dioxa-8-azaspiro[3.4]octaneCAS 1556097-36-9

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Procurement questions

What are the key identifiers for Pentafluorophenyl 1-methyl-1H-indole-7-carboxylate (CAS 941716-96-7)?

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.

Can I request a COA for CAS 941716-96-7?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for Pentafluorophenyl 1-methyl-1H-indole-7-carboxylate?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 941716-96-7 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

Can MolGraph support bulk sourcing or custom synthesis review?

Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.