5-Bromopyrimidine - ≥98% , CAS No.4595-59-9

CAS: 4595-59-9 Cat. No.: B107005 Fórmula: C₄H₃BrN₂ Peso molecular: 158.98 Beilstein Registry Number: 107326 Número CE: 224-992-1

GRADE & PURITY ≥98%

Synonyms

EINECS 224-992-1 | EN300-29556 | HY-W008017 | 5Z9X6MAT38 | PS-3029 | 1,6-hexanedione | SY004103 | Pyrimidine, 5-bromo- | AM20100172 | DTXSID4063531 | HHN | STR00327 | FT-0604348 | 6-amino-1,7-dihydropurin-2-one | MFCD00006117 | 5-bromo-pyrimidine | SCHEMB

Storage

Protected from light,Room temperature

Shipped In

Normal

Visão geral

Rapid nucleophilic displacement reactions of 5-bromopyrimidine with nucleophiles under microwave irradiation has been studied. 5-Bromopyrimidine undergoes direct metallation with lithuium diisopropylamide to yield 4-lithio-5-bromopyrimidine.

Specifications

Sinónimos

EINECS 224-992-1 | EN300-29556 | HY-W008017 | 5Z9X6MAT38 | PS-3029 | 1,6-hexanedione | SY004103 | Pyrimidine, 5-bromo- | AM20100172 | DTXSID4063531 | HHN | STR00327 | FT-0604348 | 6-amino-1,7-dihydropurin-2-one | MFCD00006117 | 5-bromo-pyrimidine | SCHEMB

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Protected from light,Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488185566
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185566
• Sorrisos canónicos: C1=C(C=NC=N1)Br
• IUPAC Name: 5-bromopyrimidine
• InChIKey: GYCPLYCTMDTEPU-UHFFFAOYSA-N
• INCHI: 1S/C4H3BrN2/c5-4-1-6-3-7-2-4/h1-3H
• SMILES isoméricas: C1=C(C=NC=N1)Br
• WGK Alemanha: 3
• Peso molecular: 158.98
• Beilstein: 107326
• Reaxy-Rn: 107326
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107326&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Halopyrimidines
• Alternative Parents: Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Halopyrimidine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

Alvos associados (não humanos)

Mycobacterium avium (4587 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mycobacterium tuberculosis (203094 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in Chloroform
• Sensibilidade: Light sensitive.
• Ponto de ebulição (°C): 168°C
• Ponto de fusão (°C): 69-73°C
• Peso molecular: 158.980 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 157.948 Da
• Monoisotopic Mass: 157.948 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 51.700
• 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

Referências

1. Maosheng Chen, Chenyu Ye, Chengqin Dai, Ruixiang Li, Ruijuan Qi, Chunhua Luo, Hui Peng, Hechun Lin.  (2023)  Self-assembly formation of CuI hybrid micron phosphors with tunable emission for multifunctional applications.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:36791481] [10.1016/j.jcis.2023.01.083]

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4595-59-9, the molecular formula is C4H3BrN2, and the molecular weight is 158.98 g/mol. InChIKey GYCPLYCTMDTEPU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.