Cas no 2042-37-7 (2-Bromobenzonitrile)

2-Bromobenzonitrile (CAS 2042-37-7) is a versatile aromatic compound featuring a bromine substituent and a nitrile functional group on a benzene ring. This structure makes it a valuable intermediate in organic synthesis, particularly in cross-coupling reactions such as Suzuki-Miyaura and Buchwald-Hartwig couplings. Its high reactivity and selectivity enable efficient transformations into pharmaceuticals, agrochemicals, and specialty chemicals. The compound's stability and purity ensure consistent performance in laboratory and industrial applications. Additionally, its well-defined physical properties, including a melting point of 52–55°C and molecular weight of 182.02 g/mol, facilitate precise handling and formulation. Suitable for use under standard conditions, 2-Bromobenzonitrile is a reliable building block for complex molecular architectures.
2-Bromobenzonitrile structure
2-Bromobenzonitrile structure
Product Name:2-Bromobenzonitrile
CAS No:2042-37-7
MF:C7H4BrN
MW:182.017360687256
MDL:MFCD00001772
CID:42357
PubChem ID:24891865
Update Time:2025-10-28

2-Bromobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Bromobenzonitrile
    • 2-bromo-benzonitril
    • Benzonitrile, o-bromo-
    • o-bromo-benzonitril
    • BROMOBENZONITRILE(2-)
    • BROMOBENZONITRILE
    • OBBN
    • TIMTEC-BB SBB008569
    • o-Bromobenzonitrile 2-Bromobenzonitrile
    • 2-Bromo
    • 2-cyanobromobenzene
    • 2-Brombenzonitril
    • o-bromocyanobenzene
    • o-Bromobenzonitrile
    • 1-BROMO-2-CYANOBENZENE
    • 2-Bromobenzenecarbonitrile
    • 2-bromo-benzonitrile
    • 2-cyanophenyl bromide
    • Benzonitrile,2-bromo
    • Benzonitrile,o-bromo
    • Benzonitrile, 2-bromo-
    • Benzonitrile, bromo-
    • AFMPMSCZPVNPEM-UHFFFAOYSA-N
    • NSC59730
    • 2-bromo benzonitrile
    • PubChem3744
    • 2-BROMOBENZONITRIL
    • AC-2433
    • 2-CYANO-1-BROMOBENZENE
    • STR06628
    • NSC-59730
    • EN300-49152
    • CHEMBL3248212
    • A21012
    • CS-W007475
    • AM20060056
    • W-107622
    • NS00026624
    • NSC 59730
    • InChI=1/C7H4BrN/c8-7-4-2-1-3-6(7)5-9/h1-4
    • Z57899728
    • SCHEMBL136719
    • 1-CYANO-2-BROMOBENZENE
    • 2-Bromobenzonitrile, 99%
    • AKOS005366657
    • PS-4959
    • 2-BROMOBENZONITRILE,
    • MFCD00001772
    • EINECS 218-045-1
    • FT-0611535
    • 2042-37-7
    • Benzonitrile, o-bromo-;o-bromo-benzonitril
    • B1369
    • DTXSID50174366
    • AC-907/25014151
    • UNII-8LSJ4JR86W
    • 8LSJ4JR86W
    • BRN 2042185
    • BB 0268023
    • 2-Bromobenzonitrile,98%
    • DB-027892
    • DTXCID0096857
    • STL168043
    • FB03708
    • 218-045-1
    • MDL: MFCD00001772
    • Inchi: 1S/C7H4BrN/c8-7-4-2-1-3-6(7)5-9/h1-4H
    • InChI Key: AFMPMSCZPVNPEM-UHFFFAOYSA-N
    • SMILES: BrC1C=CC=CC=1C#N
    • BRN: 2042185

Computed Properties

  • Exact Mass: 180.95300
  • Monoisotopic Mass: 180.952712
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 135
  • 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: 2.1
  • Topological Polar Surface Area: 23.8

Experimental Properties

  • Color/Form: crystal
  • Density: 1.496
  • Melting Point: 53.0 to 56.0 deg-C
  • Boiling Point: 251-253?°C(lit.)
  • Flash Point: Degrees Fahrenheit:230°F
    Degrees Celsius:110°C
  • Refractive Index: 1.5999 (estimate)
  • PH: 6.6 (10.5g/l, H2O, 23℃)
  • Solubility: 10.5g/l
  • PSA: 23.79000
  • LogP: 2.32078
  • Solubility: Soluble in water

2-Bromobenzonitrile Security Information

2-Bromobenzonitrile Customs Data

  • HS CODE:2926909090
  • Customs Data:

    China Customs Code:

    2926909033

    Overview:

    2926909033. Phoxim chloride\nitrilacarb \Fenpropathrin, etc. [including pyrimethamide\Propanoid cyanide\Deltamethrin]. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:S(Import and Export Pesticide Registration Certificate). Minimum tariff:6.5%. general tariff:30.0%

    Summary:

    HS:2926909033 2-bromobenzonitrile VAT:17.0% Tax rebate rate:9.0% Supervision conditions:S MFN tariff:6.5% General tariff:30.0%

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2-Bromobenzonitrile Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:2042-37-7)鄰溴苯腈
Order Number:LE5718375;LE4800;LE14625
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:44
Price ($):discuss personally
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:2042-37-7)2-Bromobenzonitrile
Order Number:sfd14688
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:37
Price ($):discuss personally

Additional information on 2-Bromobenzonitrile

Comprehensive Guide to 2-Bromobenzonitrile (CAS No. 2042-37-7): Properties, Applications, and Industry Insights

2-Bromobenzonitrile (CAS No. 2042-37-7) is a versatile organic compound widely utilized in pharmaceutical, agrochemical, and material science research. This brominated benzonitrile derivative features a cyano group (-CN) and a bromine atom at the ortho position of the benzene ring, making it a valuable intermediate for synthesizing complex molecules. Its molecular formula, C7H4BrN, and molecular weight of 182.02 g/mol contribute to its reactivity in cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig couplings, which are pivotal in modern drug discovery.

In recent years, the demand for 2-Bromobenzonitrile has surged due to its role in developing high-performance liquid crystals and OLED materials, aligning with the global shift toward energy-efficient displays. Researchers also leverage its structural properties to design biologically active compounds, addressing trending topics like antiviral agents and cancer therapeutics. A 2023 study highlighted its potential as a precursor for kinase inhibitors, a hot topic in precision medicine.

From a synthetic perspective, 2-Bromobenzonitrile exhibits excellent solubility in organic solvents like dimethyl sulfoxide (DMSO) and dichloromethane (DCM), facilitating its use in multistep reactions. Its melting point (50–53°C) and boiling point (250°C) make it stable under various industrial conditions. Environmental and safety considerations are critical; thus, manufacturers emphasize green chemistry approaches, such as catalytic bromination, to minimize waste—a response to growing ESG (Environmental, Social, and Governance) concerns in the chemical sector.

The compound’s spectroscopic data, including NMR and IR spectra, are well-documented, aiding quality control in production. Analytical techniques like HPLC and GC-MS ensure purity levels exceeding 98%, meeting stringent regulatory standards for pharmaceutical intermediates. Suppliers often highlight these metrics to address customer queries about batch-to-batch consistency and supply chain transparency—key search terms in procurement discussions.

Emerging applications of 2-Bromobenzonitrile include its use in metal-organic frameworks (MOFs) for gas storage and catalysis, tapping into the booming clean energy sector. Additionally, its derivatives are explored in fluorescent probes for bioimaging, resonating with advancements in diagnostic technologies. These innovations align with frequent search queries like "benzonitrile derivatives in medicine" or "brominated aromatics in materials science," reflecting interdisciplinary interest.

To optimize SEO, this content integrates high-traffic keywords such as "buy 2-Bromobenzonitrile", "CAS 2042-37-7 suppliers", and "bromobenzonitrile synthesis", while maintaining technical depth. By contextualizing the compound within current scientific and industrial trends—such as sustainable chemistry and personalized medicine—this guide enhances readability and relevance for researchers, procurement specialists, and educators alike.

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:2042-37-7)鄰溴苯腈
LE5718375;LE4800;LE14625
Purity:99%/99%/99%
Quantity:25KG,200KG,1000KG/25KG,200KG,1000KG/25KG,200KG,1000KG
Price ($):Inquiry/Inquiry/Inquiry
Email
Suzhou Senfeida Chemical Co., Ltd
(CAS:2042-37-7)2-Bromobenzonitrile
sfd14688
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email