Get FREE SHIPPING when you spend $99 or more | ATOMFAIR

Awaiting product image

Atomfair ethyl 5-bromo-1H-imidazole-4-carboxylate C6H7BrN2O2 CAS 944906-76-7

Ethyl 5-bromo-1H-imidazole-4-carboxylate (CAS No. 944906-76-7) is a high-purity brominated imidazole derivative with the molecular formula C6H7BrN2O2. This compound is a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty chemicals. Its unique structure, featuring a reactive bromo substituent and an ester group, makes it an ideal building block for heterocyclic chemistry and medicinal chemistry applications. The product is supplied as a crystalline solid with ≥95% purity (HPLC), ensuring consistency for research and industrial use. It is packaged under inert conditions to maintain stability and is available in quantities ranging from milligrams to kilograms to meet…

Category:

Description

Ethyl 5-bromo-1H-imidazole-4-carboxylate (CAS No. 944906-76-7) is a high-purity brominated imidazole derivative with the molecular formula C6H7BrN2O2. This compound is a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty chemicals. Its unique structure, featuring a reactive bromo substituent and an ester group, makes it an ideal building block for heterocyclic chemistry and medicinal chemistry applications. The product is supplied as a crystalline solid with ≥95% purity (HPLC), ensuring consistency for research and industrial use. It is packaged under inert conditions to maintain stability and is available in quantities ranging from milligrams to kilograms to meet diverse laboratory and production needs. Suitable for use in Suzuki couplings, nucleophilic substitutions, and other cross-coupling reactions.

Properties

  • CAS Number: 944906-76-7
  • Complexity: 154
  • IUPAC Name: ethyl 5-bromo-1H-imidazole-4-carboxylate
  • InChI: InChI=1S/C6H7BrN2O2/c1-2-11-6(10)4-5(7)9-3-8-4/h3H,2H2,1H3,(H,8,9)
  • InChI Key: YFNDBQRGZTZNRU-UHFFFAOYSA-N
  • Exact Mass: 217.96909
  • Molecular Formula: C6H7BrN2O2
  • Molecular Weight: 219.04
  • SMILES: CCOC(=O)C1=C(NC=N1)Br
  • Topological: 55
  • Monoisotopic Mass: 217.96909
  • Synonyms: ethyl 5-bromo-1H-imidazole-4-carboxylate, 944906-76-7, 840-825-0, Ethyl 4-bromo-1H-imidazole-5-carboxylate, MFCD10697506, 5-Imidazolic acid, 4-bromo-, ethyl ester, SCHEMBL16102526, BCP34561, UMB90676, AB59775, ethyl5-bromo-1H-imidazole-4-carboxylate, DB-108919, CS-0056203, Ethyl 4-bromo-1H-imidazole-5-carboxylate #, F30600, EN300-3175119, Ethyl 4-bromo-1H-imidazole-5-carboxylate;5-Bromo-1(3)H-imidazole-4-carboxylic acid ethyl ester

Application

Ethyl 5-bromo-1H-imidazole-4-carboxylate is widely used as a key intermediate in the synthesis of biologically active molecules, including antiviral and anticancer agents. Its reactive bromo group facilitates palladium-catalyzed cross-coupling reactions, enabling the construction of complex imidazole-based scaffolds. Researchers also employ this compound in the development of enzyme inhibitors and receptor modulators due to its imidazole core, which mimics histidine residues in proteins. Additionally, it serves as a precursor for functionalized imidazoles in material science and coordination chemistry.

Safety and Hazards

GHS Hazard Statements

  • H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
  • H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
  • 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Acute Tox. 4 (100%)
  • Acute Tox. 4 (100%)
  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2A (100%)
  • Acute Tox. 4 (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