4-Bromopyrimidine hydrobromide - ≥95% , CAS No.1187931-22-1

CAS: 1187931-22-1 Cat. No.: B189952 分子式: C₄H₄Br₂N₂ 分子量: 239.90 EC番号: 815-021-8

GRADE & PURITY ≥95%

Synonyms

AKOS016015229 | SY110226 | 1187931-22-1 | 4-Bromopyrimidine Hbr | SCHEMBL2552778 | AS-60340 | A892851 | 4-bromopyrimidinehydrobromide | SB31411 | 4-bromopyrimidine hydrobromide | MFCD12913811 | 4-bromopyrimidine;hydrobromide | FT-0743795 | 4-BROMO-PYRIMID

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

同義語

AKOS016015229 | SY110226 | 1187931-22-1 | 4-Bromopyrimidine Hbr | SCHEMBL2552778 | AS-60340 | A892851 | 4-bromopyrimidinehydrobromide | SB31411 | 4-bromopyrimidine hydrobromide | MFCD12913811 | 4-bromopyrimidine;hydrobromide | FT-0743795 | 4-BROMO-PYRIMID

仕様と純度

≥95%

保管条件

Store at 2-8°C,Protected from light,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

• カノニカル・スマイル: C1=CN=CN=C1Br.Br
• IUPAC Name: 4-bromopyrimidine;hydrobromide
• InChIKey: UFFBOGDIZFQAIG-UHFFFAOYSA-N
• INCHI: 1S/C4H3BrN2.BrH/c5-4-1-2-6-3-7-4;/h1-3H;1H
• 異性体SMILES: C1=CN=CN=C1Br.Br
• 分子量: 239.90

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Halopyrimidines
• Alternative Parents: Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Halopyrimidine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Hydrobromide - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 感度: Moisture sensitive;Light sensitive
• 分子量: 239.900 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 239.872 Da
• Monoisotopic Mass: 237.874 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 57.700
• 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: 2

XLogP3