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Home/Compounds/CAS 626-17-5
Formula C8H4N2MW 128.13Research-use catalog entryCOA/SDS by request

Isophthalonitrile

CAS Number: 626-17-5

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Loading RDKit molecule structure...
InChIKey: LAQPNDIUHRHNCV-UHFFFAOYSA-NC8H4N2 | MW 128.13

Chemical Absolute Identifiers

CAS Number

626-17-5

PubChem CID

12276

Molecular Formula

C8H4N2

Molecular Weight

128.13 g/mol

Exact Mass

128.037448

InChIKey

LAQPNDIUHRHNCV-UHFFFAOYSA-N

IUPAC Name

benzene-1,3-dicarbonitrile

SMILES String

N#Cc1cccc(C#N)c1

Physical Properties

Appearance

M-phthalodinitrile appears as white, crystalline or flaky solid with an almond-like odor. mp: 161-162 °C (sublimes) Density 1.28 g/cm3 (at 25 °C). Insoluble in water. Soluble in benzene and in acetone. Used as an intermediate in the manufacture of polyurethane paints and varnishes, pharmaceuticals, and agricultural chemicals.

Flash Point

15.0 °C

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

Catalog Facts

Structural features

Isophthalonitrile (CAS 626-17-5) is listed in the Materials Science portfolio, with molecular formula C8H4N2 and molecular weight 128. 13 g/mol.

Sourcing context

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

Research use context

Intended for materials chemistry research and formulation screening 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

MOF and COF MaterialsMaterials ScienceResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

Safety and handling reference content is available through documentation requests.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

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Names & Synonyms / External Identifiers

Chemical Name

Isophthalonitrile

Names & Synonyms

1,3-DICYANOBENZENE1,3-BenzenedicarbonitrileIsophthalodinitrilem-Dicyanobenzene3-Cyanobenzonitrile
Show all synonyms
m-Phthalodinitrilem-Benzenedinitrile1,3-BenzodinitrileIsoftalodinitrilIsoftalonitrilNitril kyseliny isoftaloveDinitrile of isophthalic acid1,3-Benzendikarbonitrilm-PDNMETA-DICYANOBENZENE1,3-BIS(CYANO)BENZENEIsophtalonitrileIsoftalonitril [Czech]Isoftalodinitril [Czech]
External Identifiers
EC NUMBER: 210-933-7DSSTOX SUBSTANCE ID: DTXSID7027259CHEMBL ID: CHEMBL3182143CHEBI ID: CHEBI:38218UNII: 7G36N0292WICSC NUMBER: 1583METABOLOMICS WORKBENCH ID: 55805WIKIDATA ID: Q20966059
Experimental Spectrum References
13C NMR Spectra1D NMR Spectra1H NMR SpectraATR-IR SpectraFTIR SpectraRaman SpectraUV SpectraVapor Phase IR Spectra
Literature & Patent References
DOI 10.6019/CHEMBL3988442University of Dundee, Small-Polar-MMV Screening LibraryDOI 10.1021/jm00207a013Synthesis and antiinflammatory evaluation of substituted isophthalonitriles, trimesonitriles, benzonitriles, and terephthalonitriles.PMID 722757Synthesis and antiinflammatory evaluation of substituted isophthalonitriles, trimesonitriles, benzonitriles, and terephthalonitriles.DOI 10.6019/CHEMBL4513160CO-ADD screening of MMV (CH) - Small Polar Library

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

3,3'-DicyanobiphenylCAS 36852-02-5
Benzene-1,3,5-tricarbonitrileCAS 10365-94-3
Naphthalene-2,6-dicarbonitrileCAS 31656-49-2
1,4-DicyanobenzeneCAS 623-26-7
Benzene, 1,3-diethynyl-CAS 1785-61-1

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 36852-02-53,3'-DicyanobiphenylCAS 10365-94-3Benzene-1,3,5-tricarbonitrileCAS 31656-49-2Naphthalene-2,6-dicarbonitrileCAS 623-26-71,4-DicyanobenzeneCAS 1785-61-1Benzene, 1,3-diethynyl-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 acid

RFQ questions for CAS 626-17-5

What are the key identifiers for Isophthalonitrile (CAS 626-17-5)?

Isophthalonitrile is identified by CAS 626-17-5, with molecular formula C8H4N2, molecular weight 128.13, InChIKey LAQPNDIUHRHNCV-UHFFFAOYSA-N.

Can I request a COA for CAS 626-17-5?

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

Can I request supplier SDS for Isophthalonitrile?

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

Is CAS 626-17-5 available for quotation?

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

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