Cas no 626-17-5 (Isophthalonitrile)

Isophthalonitrile (CAS 626-17-5) is an aromatic nitrile compound with the molecular formula C8H4N2. It is a white crystalline solid with a high melting point, exhibiting excellent thermal and chemical stability. This compound is primarily used as a key intermediate in the synthesis of high-performance polymers, such as polyimides and polyamides, due to its rigid benzene ring and reactive nitrile groups. Its structural properties contribute to enhanced mechanical strength and heat resistance in polymer applications. Isophthalonitrile is also employed in agrochemical and pharmaceutical manufacturing, where its functional groups enable further derivatization. The compound is handled with standard safety precautions for nitrile-containing substances.
Isophthalonitrile structure
Isophthalonitrile structure
Product Name:Isophthalonitrile
CAS No:626-17-5
MF:C8H4N2
MW:128.130761146545
MDL:MFCD00001795
CID:39199
PubChem ID:24848750
Update Time:2025-10-28

Isophthalonitrile Chemical and Physical Properties

Names and Identifiers

    • Isophthalonitrile
    • 1,3-Benzenedicarbonitrile
    • 1,3-Dicyanobenzene
    • m-Dicyanobenzene
    • meta-PHTHALODINITRILE (1,3-DICYANOBENZENE)
    • DCB
    • IPN
    • 1.3-Dicyanobenzene
    • benzene-1,3-dicarbonitrile
    • Isophthalodinitrile
    • 3-Cyanobenzonitrile
    • m-Phthalodinitrile
    • m-Benzenedinitrile
    • Isoftalodinitril
    • 1,3-Benzodinitrile
    • Isoftalonitril
    • Isophtalonitrile
    • Nitril kyseliny isoftalove
    • Dinitrile of isophthalic acid
    • Isoftalonitril [Czech]
    • 1,3-Benzendikarbonitril
    • Isoftalodinitril [Czech]
    • 1,3-Benzendikarbonitril [Czech]
    • Nitril kyseliny isoftalove [Cz
    • NCGC00259025-01
    • HSDB 5724
    • FT-0627453
    • CHEMBL3182143
    • NSC87880
    • 626-17-5
    • MFCD00001795
    • CHEBI:38218
    • m-PDN
    • isopthalonitrile
    • A833886
    • Nitril kyseliny isoftalove [Czech]
    • META-DICYANOBENZENE
    • EINECS 210-933-7
    • Tox21_201474
    • Tox21_303190
    • NCGC00257068-01
    • WLN: NCR CCN
    • AKOS015890366
    • SCHEMBL9289
    • EN300-91717
    • E83004
    • AI3-25034
    • NS00021268
    • 1,3-Dicyanobenzene, 98%
    • Q20966059
    • NSC 87880
    • 1,3-DICYANOBENZENE [HSDB]
    • NSC-87880
    • 1,3-BIS(CYANO)BENZENE
    • DTXSID7027259
    • CS-W013468
    • UNII-7G36N0292W
    • CAS-626-17-5
    • CCRIS 4132
    • J-503897
    • DTXCID207259
    • 7G36N0292W
    • InChI=1/C8H4N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4
    • I0158
    • NCGC00249051-01
    • m-Cyanobenzonitrile
    • DB-054214
    • Isoftalonitril (Czech)
    • 1,3Dicyanobenzene
    • FI37647
    • 1,3-Benzendikarbonitril (Czech)
    • m-Phthalodinitrile (ACGIH)
    • dicyanobenzene
    • 1,3benzenedicarbonitrile
    • mDicyanobenzene
    • ISOFTALODINITRIL (CZECH)
    • NITRIL KYSELINY ISOFTALOVE (CZECH)
    • mBenzenedinitrile
    • mPhthalodinitrile
    • 1,3Benzendikarbonitril
    • 1,3Benzodinitrile
    • 3Cyanobenzonitrile
    • MDL: MFCD00001795
    • Inchi: 1S/C8H4N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H
    • InChI Key: LAQPNDIUHRHNCV-UHFFFAOYSA-N
    • SMILES: N#CC1C=CC=C(C#N)C=1
    • BRN: 1072209

Computed Properties

  • Exact Mass: 128.03700
  • Monoisotopic Mass: 128.037
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 180
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 0.8
  • Topological Polar Surface Area: 47.6

Experimental Properties

  • Color/Form: Lens powder.
  • Density: 1.3
  • Melting Point: 160.0 to 164.0 deg-C
  • Boiling Point: 288 oC
  • Flash Point: 288°C
  • Refractive Index: 1.6231 (estimate)
  • Solubility: 0.7g/l
  • Water Partition Coefficient: 0.7 g/L (20 oC)
  • PSA: 47.58000
  • LogP: 1.42996
  • Solubility: It is soluble in hot alcohol and hot ether, soluble in hot water, chloroform, alcohol, ether, carbon tetrachloride, and insoluble in petroleum ether.

Isophthalonitrile Security Information

  • Symbol: GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H302,H332
  • Warning Statement: P260-P264-P270-P301+P312+P330-P314-P501
  • Hazardous Material transportation number:2811
  • WGK Germany:1
  • Hazard Category Code: 22
  • Safety Instruction: S22-S24/25
  • RTECS:CZ1900000
  • Hazardous Material Identification: Xn
  • Packing Group:III
  • Hazard Level:6.1(b)
  • HazardClass:6.1(b)
  • PackingGroup:III
  • TSCA:Yes
  • Storage Condition:Store at room temperature
  • Risk Phrases:R20/22
  • Packing Group:III
  • Safety Term:6.1(b)

Isophthalonitrile Customs Data

  • HS CODE:29269020
  • Customs Data:

    China Customs Code:

    2926902001

    Overview:

    HS: 2926902001. Isophthalonitrile. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. Minimum tariff:6.5%. general tariff:30.0%

    Summary:

    HS: 2926902001. isophthalonitrile. VAT:17.0%. tax rebate rate:9.0%. supervision conditions:None. MFN tarrif:6.5%. general tariff:30.0%

Isophthalonitrile Pricemore >>

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Isophthalonitrile Production Method

Isophthalonitrile Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:626-17-5)1,3-Dicyanobenzene
Order Number:sfd8408
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:34
Price ($):discuss personally
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:626-17-5)1,3-Dicyanobenzene
Order Number:LE5359
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 11:47
Price ($):discuss personally

Isophthalonitrile Related Literature

Additional information on Isophthalonitrile

Comprehensive Guide to Isophthalonitrile (CAS No. 626-17-5): Properties, Applications, and Industry Trends

Isophthalonitrile (CAS No. 626-17-5), a versatile organic compound, has garnered significant attention in industrial and research sectors due to its unique chemical properties. As a derivative of benzene, this high-performance intermediate is widely utilized in the synthesis of advanced materials, including polymers, agrochemicals, and specialty chemicals. Its molecular structure, featuring two nitrile groups attached to a benzene ring at the meta position, contributes to its reactivity and adaptability in various chemical processes.

The growing demand for Isophthalonitrile is closely tied to its role in producing heat-resistant polymers and corrosion-resistant coatings, which align with modern sustainability goals. Industries are increasingly searching for terms like "eco-friendly chemical intermediates" and "high-temperature resistant materials," reflecting the compound's relevance in green chemistry initiatives. Researchers also explore its potential in organic electronics and energy storage systems, addressing current trends in renewable energy technologies.

From a technical perspective, Isophthalonitrile exhibits remarkable thermal stability, with a melting point of 161–163°C and a boiling point of 315°C. These characteristics make it ideal for applications requiring thermal endurance, such as aerospace composites and automotive components. Analytical techniques like HPLC and GC-MS are commonly employed for quality control, ensuring purity levels exceed 98% for industrial-grade material. The compound's solubility profile—soluble in polar organic solvents but insoluble in water—further expands its utility in formulation chemistry.

Market analysts note increased queries about "Isophthalonitrile suppliers" and "CAS 626-17-5 pricing trends," indicating robust commercial interest. The compound's production typically involves ammoxidation of m-xylene, with process optimization being a key focus area for manufacturers aiming to improve yield and reduce environmental impact. Recent patents highlight innovations in catalytic synthesis methods, addressing the industry's push toward cleaner production technologies.

In specialty chemical applications, Isophthalonitrile serves as a precursor for phthalocyanine pigments—a topic frequently searched by coatings professionals. These pigments offer exceptional lightfastness and color stability, making them valuable for automotive paints and industrial coatings. Additionally, the compound's role in synthesizing polyimide resins connects it to emerging markets in flexible electronics and high-performance adhesives, areas experiencing rapid growth due to IoT device proliferation.

Safety considerations for handling Isophthalonitrile emphasize standard laboratory precautions, with particular attention to proper ventilation and personal protective equipment. While not classified under stringent regulatory categories, its industrial hygiene aspects remain important, as evidenced by frequent searches for "CAS 626-17-5 safety data." Proper storage conditions—cool, dry environments away from strong oxidizers—ensure material stability and longevity.

The future outlook for Isophthalonitrile appears promising, particularly in Asia-Pacific markets where chemical manufacturing capacity continues to expand. Research into novel derivatives, such as fluorinated isophthalonitriles for specialty polymers, demonstrates the compound's ongoing innovation potential. As industries seek answers to "sustainable chemical alternatives" and "high-performance material solutions," this compound remains at the forefront of advanced material development.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:626-17-5)1,3-Dicyanobenzene
sfd8408
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:626-17-5)1,3-Dicyanobenzene
LE5359
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email