2,5-ジブロモピリミジン - ≥97% , CAS No.32779-37-6

CAS: 32779-37-6 Cat. No.: D121632 分子式: C₄H₂Br₂N₂ 分子量: 237.88 EC番号: 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

アルゴン・チャージ

Shipped In

ノーマル

Specifications

同義語

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

仕様と純度

≥97%

保管条件

アルゴン・チャージ

入荷

ノーマル

純度

≥97%

名前と識別子

パブケム・シド

488196978

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488196978

カノニカル・スマイル

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

異性体SMILES

C1=C(C=NC(=N1)Br)Br

WGKドイツ

3

分子量

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
    • 分類 Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Level5 Halopyrimidines
          • Level6 2-halopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Soluble in Methanol
• 感度: Air sensitive
• 融点（°C）: 82-86°C
• 分子量: 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

よくある質問

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 32779-37-6, the molecular formula is C4H2Br2N2, and the molecular weight is 237.88 g/mol. InChIKey XAHITOJPIWZJHD-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.