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Home/Compounds/CAS 27126-93-8
Formula C9H3F6NMW 239.12Research-use catalog entryCOA/SDS by request

3,5-Bis(trifluoromethyl)benzonitrile

CAS Number: 27126-93-8

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Loading RDKit molecule structure...
InChIKey: CZKHHAOIHXHOSR-UHFFFAOYSA-NC9H3F6N | MW 239.12

Chemical Absolute Identifiers

CAS Number

27126-93-8

PubChem CID

96746

Molecular Formula

C9H3F6N

Molecular Weight

239.12 g/mol

Exact Mass

239.016968

InChIKey

CZKHHAOIHXHOSR-UHFFFAOYSA-N

SMILES String

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C#N

Physical Properties

No physical property values available.

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

3,5-Bis(trifluoromethyl)benzonitrile (CAS 27126-93-8) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C9H3F6N and molecular weight 239. 12 g/mol.

Sourcing context

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

Research use context

Intended for research-stage medicinal chemistry and intermediate synthesis workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

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

Safety & Handling

Handling & Storage

  • Keep container tightly closed and dry.
  • Store in a well-ventilated place.

PPE

Respiratory protection if needed

First Aid

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

Stability / Reactivity

  • Reactivity and reaction.
  • Carbon monoxide, carbon dioxide, hydrogen fluoride, nitrogen oxides.

Disposal

  • Waste product.
  • Dispose of remaining and non-recyclable solutions to a licensed company.
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Fire Fighting

  • If necessary, wear a self-contained breathing apparatus for firefighting.

Accidental Release

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  • 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.

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Names & Synonyms / External Identifiers

Chemical Name

3,5-Bis(trifluoromethyl)benzonitrile

Names & Synonyms

3,5-di(Trifluoromethyl)benzonitrileBenzonitrile, 3,5-bis(trifluoromethyl)-Bis(3,5-trifluoromethyl)benzonitrile3,5-Bis(trifluoromethyl)-1-cyanobenzeneInChI=1/C9H3F6N/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3H
Show all synonyms
3,5-bis(trifluoromethyl)benzenecarbonitrileNCIOpen2_0054263,5-bis(trifluoromethyl)benzonitnle3,5-Bis(trifluoromethly)benzonitrile3,5-bis(trifluoromethyl)-benzonitrileB1896
External Identifiers
EC NUMBER: 248-240-7DSSTOX SUBSTANCE ID: DTXSID80181588CHEMBL ID: CHEMBL4641534UNII: 7B2P78CB3EWIKIDATA ID: Q72447201
Experimental Spectrum References
13C NMR Spectra1D NMR Spectra1H NMR Spectra — Sigma-Aldrich Co. LLC.ATR-IR Spectra — Bio-Rad Laboratories, Inc.FTIR Spectra — Bio-Rad Laboratories, Inc.Raman Spectra — Bio-Rad Laboratories, Inc.Vapor Phase IR Spectra
Literature & Patent References
DOI 10.1016/j.bmc.2020.115357Comparative reactivity analysis of small-molecule thiol surrogates.DOI 10.1016/j.ejmech.2020.112836An electrophilic warhead library for mapping the reactivity and accessibility of tractable cysteines in protein kinases.PMID 32081630Comparative reactivity analysis of small-molecule thiol surrogates.PMID 32971426An electrophilic warhead library for mapping the reactivity and accessibility of tractable cysteines in protein kinases.

Documentation & Compliance Facts

Compliance Facts

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

What happens after RFQ

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

Text Reference Cues

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Non-public related references

3,5-DI(Trifluoromethyl)benzene-1-carbothioamideCAS 317319-15-6
4-Amino-2-(trifluoromethyl)benzonitrileCAS 654-70-6
3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazoleCAS 1333154-10-1
2-Fluoro-6-(trifluoromethyl)benzonitrileCAS 133116-83-3
Anastrozole 5-methyl analogCAS 120511-72-0

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

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateCAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acidCAS 1018125-49-92-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acidCAS 1018128-07-8Isopropyl 4-chloro-2-methylquinoline-6-carboxylateCAS 1018142-22-76-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acidCAS 1018144-00-72-(3-Cyclopropyl-6-isopropyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

RFQ questions for CAS 27126-93-8

What are the key identifiers for 3,5-Bis(trifluoromethyl)benzonitrile (CAS 27126-93-8)?

3,5-Bis(trifluoromethyl)benzonitrile is identified by CAS 27126-93-8, with molecular formula C9H3F6N, molecular weight 239.12, InChIKey CZKHHAOIHXHOSR-UHFFFAOYSA-N.

Can I request a COA for CAS 27126-93-8?

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

Can I request supplier SDS for 3,5-Bis(trifluoromethyl)benzonitrile?

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

Is CAS 27126-93-8 available for quotation?

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