Research chemical

Ethyl 2-cyano-2-(2,3,4,5,6-pentafluorophenyl)acetate

CAS Number: 2340-87-6

Product details

Identity & specification

Molecular formula: C11H6F5NO2
Molecular weight: 279.16 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

13902672

Exact Mass

279.031869

InChIKey

JOMZCODXKBUPAT-UHFFFAOYSA-N

SMILES String

CCOC(=O)C(C#N)c1c(F)c(F)c(F)c(F)c1F

Physical Properties

Appearance

White crystalline solid

Physical State

Solid

Melting Point

191.0 °C

Boiling Point

292.0 °C

Density

1.5 g/cm³

Water Solubility

2.34 × 10⁻³ mol/L

Flash Point

150.0 °C

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Vapor Pressure

Estimated very low; unit not specified

Autoignition Temp

400.0 °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

50.09 Å²

Computed LogP

2.55

Fragment-like structure rule

Yes

Lead-like structure rule

Yes

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

Ethyl 2-cyano-2-(2,3,4,5,6-pentafluorophenyl)acetate is a fluorinated organic compound featuring a pentafluorophenyl group, a cyano group, and an ethyl acetate moiety. With a molecular formula of C11H6F5NO2 and a molecular weight of 279.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

This compound is primarily for Research Use Only (RUO) as a synthetic intermediate.

Documentation needs

For research use only. Handle Ethyl 2-cyano-2-(2,3,4,5,6-pentafluorophenyl)acetate in a well-ventilated 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

Dispose of the remaining and non-recyclable solution to a licensed company.
Contact a professional institution with a waste disposal license to handle this substance.

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Fire Fighting

Wear a self-contained breathing apparatus in firefighting situations.

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

ethyl 2-cyano-2-(perfluorophenyl)acetateC11H6F5NO2Ethyl 2-cyano-2-pentafluorophenylacetateethyl cyano(2,3,4,5,6-pentafluorophenyl)acetate

External Identifiers

MFCD00559321SCHEMBL1322687

Experimental Spectrum References

19F NMR Spectra

Documentation & Compliance Facts

Compliance Facts

HS Code: 292690

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, P280, P301+P312, P302+P352, P305+P351+P338

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

2-(Pentafluorobenzoyl)thiazoleCAS 1443348-04-6

1-Cyclopropyl-6,7-difluoro-5-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acidCAS 119915-47-8

8,9-Difluoro-5-methyl-1-oxo-1,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxylic acidCAS 80076-47-7

4-Chloro-2-(trifluoromethyl)benzene-1-sulfonyl chlorideCAS 54090-42-5

4-Chloro-3-(trifluoromethyl)benzenesulfonyl ChlorideCAS 32333-53-2

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

Procurement notes

Sourcing context and documentation notes

Show details

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.

Package and specification

Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.

Final lot confirmation

Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.

Supply documentation

Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.

Quotation review

Final quote depends on quantity, lead time, destination, and supplier confirmation.

Procurement questions

Is CAS 2340-87-6 in stock?

Ethyl 2-cyano-2-(2,3,4,5,6-pentafluorophenyl)acetate is in stock. Estimated delivery: 5–9 business days. Submit an RFQ to confirm final price, lot specification, documentation, and destination-specific shipping terms.

How is the final price confirmed?

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.

Can MolGraph provide COA or SDS for CAS 2340-87-6?

Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.