Cas no 33786-93-5 (Benzonitrile,3,5-diamino-)

Benzonitrile,3,5-diamino- structure
Benzonitrile,3,5-diamino- structure
Product Name:Benzonitrile,3,5-diamino-
CAS No:33786-93-5
MF:C7H7N3
MW:133.150580644608
MDL:MFCD08705269
CID:294454
PubChem ID:24885028
Update Time:2025-11-02

Benzonitrile,3,5-diamino- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile,3,5-diamino-
    • 3,5-Diaminobenzonitrile
    • PWINPIZUWNKSPS-UHFFFAOYSA-N
    • 33786-93-5
    • AKOS006338113
    • Benzonitrile, 3,5-diamino-
    • AS-57873
    • DTXSID30512525
    • S10867
    • 3,5-diamino-benzonitrile
    • J-019321
    • MFCD08705269
    • SCHEMBL2011602
    • 3,5-Diaminobenzonitrile, 97%
    • DTXCID40463332
    • DB-112390
    • MDL: MFCD08705269
    • Inchi: 1S/C7H7N3/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,9-10H2
    • InChI Key: PWINPIZUWNKSPS-UHFFFAOYSA-N
    • SMILES: NC1C=C(C#N)C=C(C=1)N

Computed Properties

  • Exact Mass: 133.06411
  • Monoisotopic Mass: 133.063997236g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 148
  • 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
  • XLogP3: 0.3
  • Topological Polar Surface Area: 75.8?2

Experimental Properties

  • Density: 1.245
  • Melting Point: 188-191?°C
  • Boiling Point: 405.506°C at 760 mmHg
  • Flash Point: 199.043°C
  • Refractive Index: 1.64
  • PSA: 75.83

Benzonitrile,3,5-diamino- Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H302-H319
  • Warning Statement: P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 22
  • Hazardous Material Identification: Xn

Benzonitrile,3,5-diamino- Pricemore >>

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Benzonitrile,3,5-diamino- Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:33786-93-5)Benzonitrile,3,5-diamino-
Order Number:A1182007
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 01:48
Price ($):499.0

Additional information on Benzonitrile,3,5-diamino-

Comprehensive Overview of Benzonitrile,3,5-diamino- (CAS No. 33786-93-5)

Benzonitrile,3,5-diamino- (CAS No. 33786-93-5) is a specialized organic compound widely utilized in pharmaceutical intermediates, agrochemical synthesis, and advanced material research. This aromatic nitrile derivative, featuring two amino groups at the 3- and 5-positions, exhibits unique reactivity that makes it valuable for constructing heterocyclic frameworks. Its molecular formula, C7H7N3, and structural versatility align with growing demand for high-precision chemical building blocks in drug discovery and functional materials.

Recent trends in green chemistry and sustainable synthesis have amplified interest in Benzonitrile,3,5-diamino- as a precursor for eco-friendly catalytic processes. Researchers highlight its role in metal-organic frameworks (MOFs) design, where its bifunctional amino/cyano groups facilitate coordination chemistry. The compound’s thermal stability (up to 200°C) further supports applications in high-performance polymers, addressing industry needs for heat-resistant materials in electronics and automotive sectors.

Analytical characterization of CAS No. 33786-93-5 typically involves HPLC (>98% purity), FT-IR (νC≡N ~2230 cm-1), and 1H NMR (δ 6.8–7.2 ppm aromatic protons). These protocols ensure batch consistency for pharmaceutical grade applications, particularly in synthesizing triazole-based APIs—a class gaining traction for antiviral and anticancer therapies. Patent analyses reveal a 40% increase in filings referencing this compound since 2020, underscoring its strategic importance.

From a supply chain perspective, 3,5-diaminobenzonitrile manufacturers now emphasize REACH compliance and ISO-certified production to meet EU/NA market standards. Storage recommendations include amber glass containers under nitrogen atmosphere to prevent oxidative degradation—a critical consideration for long-term stability in R&D inventories. Pricing volatility remains moderate ($120–$150/kg) due to balanced demand from specialty chemical sectors.

Emerging studies explore the compound’s fluorescence properties when incorporated into OLED materials, with quantum yield measurements showing promise for next-gen display technologies. This interdisciplinary potential positions Benzonitrile,3,5-diamino- at the intersection of chemistry and materials science, answering frequent search queries about "nitrile compounds in optoelectronics" and "diamino-aromatics for catalysis".

Handling precautions for CAS 33786-93-5 follow standard laboratory protocols: PPE (gloves/goggles) and local exhaust ventilation. While not classified as hazardous under GHS, its dust control measures align with occupational exposure limits (OELs) for fine powders. These operational guidelines address common concerns in industrial safety forums and chemical handling FAQs.

The environmental profile of 3,5-diaminobenzonitrile shows moderate biodegradability (OECD 301D: 35% in 28 days), prompting innovations in wastewater treatment for production facilities. Lifecycle assessments compare favorably against halogenated analogs, making it a candidate for green chemistry initiatives—a hot topic in corporate sustainability reports.

Future research directions may leverage computational chemistry (DFT modeling) to predict novel derivatives, addressing search trends around "AI in chemical discovery". As industries prioritize multifunctional intermediates, Benzonitrile,3,5-diamino- stands poised to enable breakthroughs across pharmaceuticals, advanced materials, and sustainable technologies.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:33786-93-5)Benzonitrile,3,5-diamino-
A1182007
Purity:99%
Quantity:5g
Price ($):499.0
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