Cas no 97165-77-0 (3,5-Dibromobenzonitrile)

3,5-Dibromobenzonitrile is a brominated aromatic nitrile compound with the molecular formula C7H3Br2N. It is characterized by the presence of two bromine atoms at the 3 and 5 positions of the benzonitrile ring, enhancing its reactivity in electrophilic substitution and cross-coupling reactions. This compound is commonly utilized as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its high purity and stability make it suitable for precise synthetic applications. The electron-withdrawing nitrile group further facilitates its use in nucleophilic aromatic substitution and metal-catalyzed transformations, offering versatility in constructing complex molecular architectures.
3,5-Dibromobenzonitrile structure
3,5-Dibromobenzonitrile structure
Product Name:3,5-Dibromobenzonitrile
CAS No:97165-77-0
MF:C7H3Br2N
MW:260.913419961929
MDL:MFCD00178770
CID:803738
PubChem ID:2797690
Update Time:2025-10-23

3,5-Dibromobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 3,5-Dibromobenzonitrile
    • Benzonitrile,3,5-dibromo-
    • Benzonitrile, 3,5-dibromo-
    • 3,5-dibromobenzenecarbonitrile
    • PubChem3862
    • Maybridge1_007794
    • 3,5-dibromo-benzonitrile
    • KSC493G8P
    • HMS563K06
    • QUJGDNCWTBTBQD-UHFFFAOYSA-N
    • WT1562
    • SBB055510
    • RW3563
    • TD1139
    • OR29247
    • FCH1322250
    • AS02391
    • BC002644
    • AX8023288
    • T
    • 3,5-Dibromobenzonitrile (ACI)
    • CS-W021811
    • EN300-221297
    • MFCD00178770
    • SY032188
    • DTXCID50334968
    • AKOS005259306
    • PS-7363
    • 97165-77-0
    • SCHEMBL200313
    • AC-28542
    • Z1269138219
    • D5049
    • DB-017581
    • DTXSID80383944
    • MDL: MFCD00178770
    • Inchi: 1S/C7H3Br2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
    • InChI Key: QUJGDNCWTBTBQD-UHFFFAOYSA-N
    • SMILES: N#CC1C=C(Br)C=C(Br)C=1

Computed Properties

  • Exact Mass: 258.86300
  • Monoisotopic Mass: 258.863
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 150
  • 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
  • Topological Polar Surface Area: 23.8
  • XLogP3: 3

Experimental Properties

  • Color/Form: No data available
  • Density: 2.06
  • Melting Point: 98.0 to 102.0 deg-C
  • Boiling Point: 261.2±20.0 °C at 760 mmHg
  • Flash Point: 111.8±21.8 °C
  • Refractive Index: 1.662
  • PSA: 23.79000
  • LogP: 3.08328

3,5-Dibromobenzonitrile Security Information

3,5-Dibromobenzonitrile 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%

3,5-Dibromobenzonitrile Pricemore >>

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3,5-Dibromobenzonitrile Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Imidazolium chloride ,  Hydroxyamine hydrochloride Solvents: Sulfolane ;  4 h, 120 °C
Reference
Imidazole Hydrochloride Promoted Synthesis of Nitriles from Aldehydes
Wang, Yin; Wang, Xuetong; Li, Yanwu; Zhang, Xiuyu; Li, Lingli; et al, Current Organic Synthesis, 2022, 19(8), 923-929

Production Method 2

Reaction Conditions
1.1 Reagents: Ammonia ,  Oxygen Catalysts: Ruthenium (manganese oxide nanorod-supported) Solvents: 2-Methyl-2-butanol ,  Water ;  5.5 h, 0.5 MPa, 100 °C
Reference
Atomically Dispersed Ru on Manganese Oxide Catalyst Boosts Oxidative Cyanation
Wang, Hai; Xu, Dongyang; Guan, Erjia ; Wang, Liang ; Zhang, Jian; et al, ACS Catalysis, 2020, 10(11), 6299-6308

Production Method 3

Reaction Conditions
1.1 Reagents: Ammonia ,  Oxygen Catalysts: Cobalt oxide (Co3O4) (reaction product with Vulcan XC72R and 1,10-phenanthroline) Solvents: 2-Methyl-2-butanol ,  Water ;  24 h, 5 bar, 130 °C
Reference
Green synthesis of nitriles using non-noble metal oxides-based nanocatalysts
Jagadeesh, Rajenahally V.; Junge, Henrik; Beller, Matthias, Nature Communications, 2014, 5,

Production Method 4

Reaction Conditions
1.1 Reagents: Ammonia ,  Oxygen Catalysts: Boron nitride (sulfonated) Solvents: Water ;  8 h, 80 °C
Reference
Method for synthesis of nitriles by ammoxidation of aromatic alcohols using metal-free sulfonated boron nitride as catalyst
, India, , ,

Production Method 5

Reaction Conditions
1.1 Reagents: Sodium bromide ,  Hydrogen peroxide ,  Hydrogen bromide
Reference
Halogenation of benzene derivatives with electron-acceptor substituents under conditions generating electrophilic chlorine and bromine
Sadiqov, O. A., Kimya Problemlari, 2009, (4), 676-679

3,5-Dibromobenzonitrile Raw materials

3,5-Dibromobenzonitrile Preparation Products

3,5-Dibromobenzonitrile Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:97165-77-0)3,5-Dibromobenzonitrile
Order Number:A11224
Stock Status:in Stock
Quantity:250.0g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 21:29
Price ($):252.0
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier Audited Supplier
(CAS:97165-77-0)3,5-Dibromobenzonitrile
Order Number:JOX-141
Stock Status:in Stock
Quantity:25KG
Purity:98%
Pricing Information Last Updated:Tuesday, 15 July 2025 15:40
Price ($):

Additional information on 3,5-Dibromobenzonitrile

Recent Advances in the Study of 3,5-Dibromobenzonitrile (CAS: 97165-77-0) in Chemical Biology and Pharmaceutical Research

3,5-Dibromobenzonitrile (CAS: 97165-77-0) is a halogenated aromatic compound that has garnered significant attention in recent years due to its versatile applications in chemical biology and pharmaceutical research. This compound, characterized by its bromine substituents and nitrile functional group, serves as a key intermediate in the synthesis of various bioactive molecules. Recent studies have explored its potential in drug discovery, material science, and agrochemical development, highlighting its importance in modern chemical research.

One of the most notable advancements in the study of 3,5-Dibromobenzonitrile is its role as a building block for the synthesis of kinase inhibitors. Kinases are critical targets in cancer therapy, and the ability to modulate their activity with high specificity is a major focus of current research. A 2023 study published in the Journal of Medicinal Chemistry demonstrated that derivatives of 3,5-Dibromobenzonitrile exhibit potent inhibitory effects against a subset of tyrosine kinases, suggesting their potential as lead compounds for anticancer drug development. The study utilized molecular docking and in vitro assays to validate the binding affinity and selectivity of these derivatives.

In addition to its pharmaceutical applications, 3,5-Dibromobenzonitrile has also been investigated for its utility in material science. Researchers have employed this compound as a precursor for the synthesis of organic semiconductors and liquid crystals. A recent publication in Advanced Materials (2024) reported the successful incorporation of 3,5-Dibromobenzonitrile into π-conjugated systems, resulting in materials with enhanced electronic properties. These findings open new avenues for the development of next-generation optoelectronic devices.

The environmental and safety aspects of 3,5-Dibromobenzonitrile have also been a subject of scrutiny. A 2023 toxicological study evaluated the compound's ecotoxicological profile, revealing moderate toxicity to aquatic organisms. These findings underscore the need for careful handling and disposal of this chemical in industrial and laboratory settings. Regulatory agencies are currently reviewing these data to update safety guidelines for halogenated benzonitrile derivatives.

Looking ahead, the versatility of 3,5-Dibromobenzonitrile continues to inspire innovative research. Ongoing studies are exploring its potential in agrochemicals, where it may serve as a scaffold for novel herbicides and fungicides. Furthermore, computational approaches are being leveraged to design new derivatives with improved bioactivity and reduced environmental impact. As the field progresses, 3,5-Dibromobenzonitrile is expected to remain a cornerstone in the intersection of chemical biology and pharmaceutical innovation.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:97165-77-0)3,5-Dibromobenzonitrile
A11224
Purity:99%
Quantity:250.0g
Price ($):252.0
Email
TAIXING JOXIN BIO-TEC CO.,LTD.
(CAS:97165-77-0)3,5-Dibromobenzonitrile
JOX-141
Purity:98%
Quantity:25KG
Price ($):Inquiry
Email