2,5-Dibromopyrimidine - ≥97% , CAS No.32779-37-6

CAS: 32779-37-6 Cat. No.: D121632 Peso molecular: 237.88 Número EC: 689-451-8

GRADE & PURITY ≥97%

Synonyms

SCHEMBL198651 | BBL101687 | Pyrimidine, 2,5-dibromo- | XAHITOJPIWZJHD-UHFFFAOYSA-N | D4225 | 2,5-dibromopyrimidine | 2,5-dibromo-Pyrimidine | SY015869 | 2,5-Dibromopyrimidine, 97% | A821409 | AM20090482 | AKOS007930456 | EN300-67369 | MFCD08275684 | DTXSI

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

SCHEMBL198651 | BBL101687 | Pyrimidine, 2, 5-dibromo- | XAHITOJPIWZJHD-UHFFFAOYSA-N | D4225 | 2, 5-dibromopyrimidine | 2, 5-dibromo-Pyrimidine | SY015869 | 2, 5-Dibromopyrimidine, 97% | A821409 | AM20090482 | AKOS007930456 | EN300-67369 | MFCD08275684 | DTXSI

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488196978
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196978
• Sonrisas canónicas: C1=C(C=NC(=N1)Br)Br
• IUPAC Name: 2,5-dibromopyrimidine
• InChIKey: XAHITOJPIWZJHD-UHFFFAOYSA-N
• INCHI: 1S/C4H2Br2N2/c5-3-1-7-4(6)8-2-3/h1-2H
• Isómeros SMILES: C1=C(C=NC(=N1)Br)Br
• WGK Alemania: 3
• Peso molecular: 237.88
• Reaxy-Rn: 636510
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636510&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Level5 Halopyrimidines
          • Level6 2-halopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Halopyrimidines
• Direct Parent: 2-halopyrimidines
• Alternative Parents: Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyrimidine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2-halopyrimidines. These are aromatic compounds containing a pyrimidine ring substituted at the 2-position with a halogen atom.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: Air sensitive
• Punto de fusión (°C): 82-86°C
• Peso molecular: 237.880 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 237.856 Da
• Monoisotopic Mass: 235.858 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 70.400
• 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. Zhenghui Yang, Pingchuan Ma, Furong Li, Haiquan Guo, Chuanqing Kang, Lianxun Gao.  (2021)  Ultrahigh thermal-stability polyimides with low CTE and required flexibility by formation of hydrogen bonds between poly(amic acid)s.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2021.110369]

2. Xiaojuan Lu, Deyu Xin, Lin Lei, Zhenghui Fan, Siyin Dong, Shujie Tie, Ruihan Yuan, Pu’an Lin, Jianguo Zhu, Xiaojia Zheng.  (2024)  High-Performance Flat-Panel Perovskite X-ray Detectors Enabled by Defect Passivation in Ruddlesden–Popper Perovskites.  ACS Applied Materials & Interfaces,      [PMID:38450480] [10.1021/acsami.4c00232]