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Home/Compounds/CAS 1897-45-6
Formula C8Cl4N2MW 265.9Research-use catalog entryCOA/SDS by request

Chlorothalonil

CAS Number: 1897-45-6

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Loading RDKit molecule structure...
InChIKey: CRQQGFGUEAVUIL-UHFFFAOYSA-NC8Cl4N2 | MW 265.9

Chemical Absolute Identifiers

CAS Number

1897-45-6

PubChem CID

15910

Molecular Formula

C8Cl4N2

Molecular Weight

265.9 g/mol

Exact Mass

265.878609

InChIKey

CRQQGFGUEAVUIL-UHFFFAOYSA-N

IUPAC Name

2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile

SMILES String

C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl

Physical Properties

Melting Point

25–252.1 °C

Boiling Point

350.0 °C

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

Catalog Facts

Structural features

Chlorothalonil (CAS 1897-45-6) is listed in the Life Science portfolio, with molecular formula C8Cl4N2 and molecular weight 265. 90 g/mol.

Sourcing context

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

Research use context

Intended for life-science research and analytical 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

Life Science ResearchResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: Microtubule-associated protein tau (Homo sapiens) — 3 assays; Nuclear receptor ROR-gamma (Mus musculus) — 2 assays; Mitogen-activated protein kinase 1 (Homo sapiens) — 3 assays; Cytochrome P450 3A4 (Homo sapiens) — 2 assays; Cellular tumor antigen p53 (Homo sapiens) — 3 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Microtubule-associated protein tau

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 5.75

Experimental evidence source: ChEMBL

Nuclear receptor ROR-gamma

Mus musculus · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.75

Experimental evidence source: ChEMBL

Mitogen-activated protein kinase 1

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 5.7

Experimental evidence source: ChEMBL

Cytochrome P450 3A4

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.5

Experimental evidence source: ChEMBL

Cellular tumor antigen p53

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 5.4

Experimental evidence source: ChEMBL

Safety & Handling

Handling & Storage

  • Keep container tightly closed and dry.
  • Store in a well-ventilated place.
  • Avoid contact with skin and eyes.

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 chloride, nitrogen oxides.

Disposal

  • Waste product.
  • Dispose of remaining and non-recyclable solutions to a licensed company.
Show additional safety reference fields

Fire Fighting

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

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

Names & Synonyms / External Identifiers

Chemical Name

Chlorothalonil

Names & Synonyms

TetrachloroisophthalonitrileDaconilBravom-TcpnNopcocide
Show all synonyms
DacosoilForturfTermilSweepExotherm termilDaconil M1,3-DicyanotetrachlorobenzeneDaconil 2787meta-TCPNChloroalonilClortosipExothermRepulseFaberm-Tetrachlorophthalonitrile
External Identifiers
EC NUMBER: 217-588-1DSSTOX SUBSTANCE ID: DTXSID0020319CHEMBL ID: CHEMBL468167CHEBI ID: CHEBI:3639UNII: J718M71A7AHMDB ID: HMDB0250125ICSC NUMBER: 0134KEGG ID: C11037METABOLOMICS WORKBENCH ID: 53065WIKIDATA ID: Q418320
Experimental Spectrum References
13C NMR Spectra1D NMR SpectraFTIR Spectra
Literature & Patent References
DOI 10.1016/j.ejmech.2021.114057Natural and synthetic β-carboline as a privileged antifungal scaffolds.PMID 34954591Natural and synthetic β-carboline as a privileged antifungal scaffolds.DOI 10.6019/CHEMBL4651402Screening of ~5500 FDA-approved drugs and clinical candidates for anti-SARS-CoV-2 activityDOI 10.1016/j.bmc.2019.115088Synthesis and biological evaluation of calycanthaceous alkaloid analogs.DOI 10.1016/j.ejmech.2019.02.002Chemical synthesis, crystal structure, versatile evaluation of their biological activities and molecular simulations of novel pyrithiobac derivatives.PMID 30784880Chemical synthesis, crystal structure, versatile evaluation of their biological activities and molecular simulations of novel pyrithiobac derivatives.PMID 31521458Synthesis and biological evaluation of calycanthaceous alkaloid analogs.DOI 10.1016/j.bmcl.2013.02.033Synthesis and antimicrobial activity of polyhalo isophthalonitrile derivatives.

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

Additional text reference cues are not available for this catalog entry.

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 97-18-7BithionolCAS 118-75-2ChloranilCAS 21829-25-4NifedipineCAS 102146-07-6DpcpxCAS 104227-87-4FamciclovirCAS 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 acid

RFQ questions for CAS 1897-45-6

What are the key identifiers for Chlorothalonil (CAS 1897-45-6)?

Chlorothalonil is identified by CAS 1897-45-6, with molecular formula C8Cl4N2, molecular weight 265.9, InChIKey CRQQGFGUEAVUIL-UHFFFAOYSA-N.

Does CAS 1897-45-6 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Microtubule-associated protein tau, Nuclear receptor ROR-gamma, Mitogen-activated protein kinase 1, Cytochrome P450 3A4, Cellular tumor antigen p53. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 1897-45-6?

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

Can I request supplier SDS for Chlorothalonil?

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

Is CAS 1897-45-6 available for quotation?

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

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