Cas no 17626-40-3 (3,4-Diaminobenzonitrile)

3,4-Diaminobenzonitrile is a high-purity aromatic compound featuring both amine and nitrile functional groups, making it a versatile intermediate in organic synthesis. Its molecular structure enables applications in pharmaceuticals, agrochemicals, and specialty polymers, particularly as a precursor for heterocyclic compounds and dyes. The compound’s dual amine groups facilitate selective reactivity, allowing for targeted modifications in complex synthetic pathways. Its stability under standard conditions ensures consistent performance in laboratory and industrial settings. Available in crystalline form, 3,4-Diaminobenzonitrile is characterized by its high solubility in polar organic solvents, enhancing its utility in diverse reaction systems. Proper handling and storage are recommended to maintain its integrity.
3,4-Diaminobenzonitrile structure
3,4-Diaminobenzonitrile structure
Product Name:3,4-Diaminobenzonitrile
CAS No:17626-40-3
MF:C7H7N3
MW:133.150580644608
MDL:MFCD00723901
CID:50822
PubChem ID:737285
Update Time:2025-06-14

3,4-Diaminobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 3,4-Diaminobenzonitrile
    • BUTTPARK 43\57-88
    • 1,2-diamino-4-cyanobenzene
    • 2-amino-4-cyanoaniline
    • 3,4-diaminobenzenecarbonitrile
    • 3,4-diamino-benzonitrile
    • 4-cyano-1,2-phenylenediamine
    • 4-cyano-o-phenylenediamine
    • 4-Cyano-1,2-benzenediamine
    • 4-Cyano-1,2-diaminobenzene
    • Benzonitrile,3,4-diaMino-
    • 4-Cyanobenzene-1,2-diamine
    • 4-Cyanobenzene-1,2-diamine, 4-Cyanophenylene-1,2-diamine
    • 3,4-DIAMINOBENZONITRILE 95+%
    • AC-971
    • PS-3141
    • AM20030170
    • SY030467
    • Z57254814
    • SCHEMBL352155
    • VWLLPPSBBHDXHK-UHFFFAOYSA-N
    • AKOS001270365
    • BP-10333
    • DTXSID80353223
    • 3,4-Diaminobenzonitrile, 97%
    • D5194
    • J-511124
    • CL8175
    • 17626-40-3
    • 3 pound not4-Diaminobenzonitrile
    • 2-Aminoresorcinolhydrochloride
    • EN300-18174
    • FT-0600965
    • CS-W007506
    • Benzonitrile, 3,4-diamino-
    • 4-cyano-benzene-1,2-diamine
    • 3,4 diamino benzonitrile
    • 3,4-diamino benzonitrile
    • MFCD00723901
    • 3, 4-diaminobenzonitrile
    • DB-006272
    • aniline, 2-amino-4-cyano-
    • DTXCID90304286
    • 629-100-8
    • MDL: MFCD00723901
    • Inchi: 1S/C7H7N3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,9-10H2
    • InChI Key: VWLLPPSBBHDXHK-UHFFFAOYSA-N
    • SMILES: NC1C=C(C#N)C=CC=1N

Computed Properties

  • Exact Mass: 133.06400
  • 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: 158
  • 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: nothing
  • Topological Polar Surface Area: 75.8?2

Experimental Properties

  • Color/Form: Uncertain
  • Density: 1.24
  • Melting Point: 144-148?°C
  • Boiling Point: 368.7°C at 760 mmHg
  • Flash Point: 176.8±23.7 °C
  • Refractive Index: 1.64
  • Solubility: Soluble in dichloromethane, methanol and ethyl acetate.
  • Stability/Shelf Life: Store in freezer at -20°C
  • PSA: 75.83000
  • LogP: 1.88508
  • λmax: 316(THF)(lit.)
  • Solubility: Uncertain

3,4-Diaminobenzonitrile Security Information

  • Symbol: GHS07
  • Prompt:dangerous
  • Signal Word:Warning
  • Hazard Statement: H302,H315,H319,H335
  • Warning Statement: P261,P305+P351+P338
  • Hazardous Material transportation number:3276
  • WGK Germany:3
  • Hazard Category Code: 22-36/37/38
  • Safety Instruction: S26-S36-S36/37
  • Hazardous Material Identification: Xn
  • HazardClass:6.1
  • PackingGroup:III
  • Storage Condition:Keep in dark place,Inert atmosphere,Room temperature
  • Risk Phrases:R20/21/22
  • Safety Term:S36/37

3,4-Diaminobenzonitrile Customs Data

  • HS CODE:2926909090
  • Customs Data:

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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3,4-Diaminobenzonitrile Production Method

3,4-Diaminobenzonitrile Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:17626-40-3)3,4-Diaminobenzonitrile
Order Number:A3913
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:03
Price ($):161.0

Additional information on 3,4-Diaminobenzonitrile

Recent Advances in the Study of 3,4-Diaminobenzonitrile (CAS: 17626-40-3) and Its Applications in Chemical Biology and Pharmaceutical Research

3,4-Diaminobenzonitrile (CAS: 17626-40-3) is a chemical compound of significant interest in the fields of chemical biology and pharmaceutical research. Its unique structural properties, characterized by the presence of two amino groups and a nitrile functionality, make it a versatile intermediate in the synthesis of various bioactive molecules. Recent studies have explored its potential applications in drug discovery, material science, and as a precursor for the development of novel therapeutic agents. This research brief aims to summarize the latest findings related to 3,4-Diaminobenzonitrile, focusing on its synthesis, biological activity, and emerging applications.

One of the key areas of research involving 3,4-Diaminobenzonitrile is its role in the synthesis of heterocyclic compounds. A study published in the Journal of Medicinal Chemistry (2023) demonstrated its utility as a building block for the preparation of quinoxaline derivatives, which exhibit potent antimicrobial and anticancer activities. The researchers employed a novel catalytic method to achieve high yields and selectivity, highlighting the compound's potential in scalable pharmaceutical production. Additionally, the study revealed that the nitrile group in 3,4-Diaminobenzonitrile can be further functionalized to introduce diverse pharmacophores, thereby expanding its applicability in drug design.

Another significant development is the investigation of 3,4-Diaminobenzonitrile as a corrosion inhibitor. A recent report in ACS Applied Materials & Interfaces (2024) showcased its effectiveness in protecting metal surfaces in aggressive environments. The study utilized electrochemical impedance spectroscopy and surface analysis techniques to elucidate the mechanism of action, which involves the formation of a protective film on the metal surface. These findings open new avenues for the use of 3,4-Diaminobenzonitrile in industrial applications, particularly in the oil and gas sector where corrosion resistance is critical.

In the realm of material science, 3,4-Diaminobenzonitrile has been explored as a precursor for the synthesis of conductive polymers. A research team at MIT (2023) reported the successful polymerization of 3,4-Diaminobenzonitrile to produce polyaniline-like structures with enhanced electrical conductivity and thermal stability. These polymers hold promise for use in flexible electronics, sensors, and energy storage devices. The study also highlighted the compound's potential for creating hybrid materials with unique optoelectronic properties, further broadening its scope of application.

Despite these advancements, challenges remain in the large-scale production and purification of 3,4-Diaminobenzonitrile. A recent review in Chemical Reviews (2024) emphasized the need for greener synthetic routes and more efficient purification techniques to minimize environmental impact and reduce costs. The review also called for further studies to explore the compound's toxicity profile and long-term stability, which are crucial for its adoption in pharmaceutical formulations. Addressing these challenges will be essential for unlocking the full potential of 3,4-Diaminobenzonitrile in various industrial and biomedical applications.

In conclusion, 3,4-Diaminobenzonitrile (CAS: 17626-40-3) continues to be a compound of great interest in chemical biology and pharmaceutical research. Its versatility as a synthetic intermediate, combined with its emerging applications in material science and corrosion inhibition, underscores its importance in modern chemistry. Future research should focus on optimizing its synthesis, exploring new functionalization strategies, and evaluating its safety and efficacy in diverse applications. The ongoing studies on this compound are expected to yield significant contributions to the advancement of science and technology.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:17626-40-3)3,4-Diaminobenzonitrile
A3913
Purity:99%
Quantity:100g
Price ($):161.0
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