Atomfair

Awaiting product image

Atomfair 5-Bromo-2,3-difluorobenzonitrile C7H2BrF2N CAS 1105665-42-6

5-Bromo-2,3-difluorobenzonitrile (CAS No. 1105665-42-6) is a high-purity halogenated aromatic compound with the molecular formula C7H2BrF2N . This specialized chemical features a benzonitrile core functionalized with bromine and two fluorine atoms at the 5-, 2-, and 3-positions, respectively, offering unique electronic and steric properties for advanced synthetic applications. With a molecular weight of 218.00 g/mol , it is supplied as a crystalline solid with ≥95% purity (HPLC) and is rigorously tested for consistency in moisture content, residual solvents, and heavy metals. Ideal for cross-coupling reactions , pharmaceutical intermediates , and material science research , this compound is packaged under inert gas…

Category:

Description

5-Bromo-2,3-difluorobenzonitrile (CAS No. 1105665-42-6) is a high-purity halogenated aromatic compound with the molecular formula C7H2BrF2N. This specialized chemical features a benzonitrile core functionalized with bromine and two fluorine atoms at the 5-, 2-, and 3-positions, respectively, offering unique electronic and steric properties for advanced synthetic applications. With a molecular weight of 218.00 g/mol, it is supplied as a crystalline solid with ≥95% purity (HPLC) and is rigorously tested for consistency in moisture content, residual solvents, and heavy metals. Ideal for cross-coupling reactions, pharmaceutical intermediates, and material science research, this compound is packaged under inert gas in amber glass vials with optional argon-sealed ampoules for air-sensitive protocols. Technical data sheets include 1H/13C NMR, HPLC chromatograms, and FT-IR spectra for batch-to-batch verification.

Properties

  • CAS Number: 1105665-42-6
  • Complexity: 188
  • IUPAC Name: 5-bromo-2,3-difluoro-benzonitrile
  • InChI: InChI=1S/C7H2BrF2N/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2H
  • InChI Key: MMCIFQUWYTZTIW-UHFFFAOYSA-N
  • Exact Mass: 216.93387
  • Molecular Formula: C7H2BrF2N
  • Molecular Weight: 218.00
  • SMILES: C1=C(C=C(C(=C1C#N)F)F)Br
  • Topological: 23.8
  • Monoisotopic Mass: 216.93387
  • Synonyms: 5-Bromo-2,3-difluorobenzonitrile, 1105665-42-6, DTXSID90732388, DTXCID20683132, 813-153-0, Benzonitrile, 5-bromo-2,3-difluoro-, MFCD15528910, SCHEMBL504867, MMCIFQUWYTZTIW-UHFFFAOYSA-N, CL9626, AKOS016012541, PS-10152, SY240977, DB-368358, CS-0187110

Application

5-Bromo-2,3-difluorobenzonitrile serves as a versatile building block in Suzuki-Miyaura and Buchwald-Hartwig couplings for constructing polyfluorinated biaryl systems in drug discovery. Its electron-deficient aromatic ring enhances reactivity in nucleophilic aromatic substitutions (SNAr) for agrochemical and pharmaceutical intermediates. The compound is also employed in liquid crystal and OLED material synthesis, where the bromo-cyano motif facilitates π-conjugation tuning.

Safety and Hazards

GHS Hazard Statements

  • H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

  • P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Acute Tox. 4 (100%)
  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2 (100%)
  • STOT SE 3 (100%)

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

Reviews

There are no reviews yet.

Only logged in customers who have purchased this product may leave a review.

Related products