4-Bromo-1H-imidazole - ≥97% , CAS No.2302-25-2

CAS: 2302-25-2 Cat. No.: B119330 Peso molecular: 146.97 Beilstein Registry Number: 23(4)581 Número EC: 627-452-7

GRADE & PURITY ≥97%

Synonyms

4(or 5)-Bromoimidazole | F0001-0804 | STK929509 | A4880 | FT-0649273 | Imidazole, 4(or 5)-bromo- | HY-W002226 | CL2219 | NSC 54254 | AC-907/34115001 | 3kqm | MFCD00047021 | 4i7p | AKOS005259750 | 1H-Imidazole, 4-bromo- | 4-Bromo-1H-imidazole, 97% | Imidaz

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

product description：

4-Bromo-1H-imidazole (4-Br-1H-Im) is a heterocyclic building block containing an imidazole ring. It crystallizes in the monoclinic space group P21/c.

application：

4-Bromo-1H-imidazole may be used as a starting material to prepare 5(4)-bromo-4(5)-nitroimidazole.It may be used in the synthesis of the following aminoimidazoles via palladium catalyzed amination:N-(4-ethoxyphenyl)-1H-imidazol-4-amine.N-(2,5-dimethoxyphenyl)-1H-imidazol-4-amine.N-(3-phenoxyphenyl)-1H-imidazol-4-amine.N-(4-cyanophenyl)-1H-imidazol-4-amine.N-(pyridin-3-yl)-1H-imidazol-4-amine

Specifications

Sinónimos

4(or 5)-Bromoimidazole | F0001-0804 | STK929509 | A4880 | FT-0649273 | Imidazole, 4(or 5)-bromo- | HY-W002226 | CL2219 | NSC 54254 | AC-907/34115001 | 3kqm | MFCD00047021 | 4i7p | AKOS005259750 | 1H-Imidazole, 4-bromo- | 4-Bromo-1H-imidazole, 97% | Imidaz

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488186970
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186970
• Sonrisas canónicas: C1=C(NC=N1)Br
• IUPAC Name: 5-bromo-1H-imidazole
• InChIKey: FHZALEJIENDROK-UHFFFAOYSA-N
• INCHI: 1S/C3H3BrN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
• Isómeros SMILES: C1=C(NC=N1)Br
• WGK Alemania: 3
• RTECS: NI3517450
• Peso molecular: 146.97
• Beilstein: 23(4)581
• Reaxy-Rn: 605753
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605753&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Aryl halides
      • Subclass Aryl bromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Aryl halides
• Subclass: Aryl bromides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl bromides
• Alternative Parents: Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl bromide - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl bromides. These are organic compounds containing the acyl bromide functional group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Dimethylformamide
• Sensibilidad: Air Sensitive
• Punto de fusión (°C): 131-135°C
• Peso molecular: 146.970 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 145.948 Da
• Monoisotopic Mass: 145.948 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 48.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Renjie Ding, Haifeng Zhu, Jiashun Zhou, Huihua Luo, Kehui Xue, Lianqing Yu, Yaping Zhang.  (2023)  Highly Water-Stable and Efficient Hydrogen-Producing Heterostructure Synthesized from Mn0.5Cd0.5S and a Zeolitic Imidazolate Framework ZIF-8 via Ligand and Cation Exchange.  ACS Applied Materials & Interfaces,      [PMID:37477612] [10.1021/acsami.3c08614]

2. Bin Jiang, Zhaohe Huang, Luhong Zhang, Yongli Sun, Huawei Yang, Hanrong Bi.  (2016)  Highly efficient and reversible CO2 capture by imidazolate-based ether-functionalized ionic liquids with a capture transforming process.  Journal of the Taiwan Institute of Chemical Engineers,      [PMID:] [10.1016/j.jtice.2016.10.009]