2-(4-Bromophenyl)pyrimidine - ≥98% , CAS No.210354-17-9

CAS: 210354-17-9 Cat. No.: B405355 分子式: C₁₀H₇BrN₂ 分子量: 235.08 EC番号: 835-809-5

GRADE & PURITY ≥98%

Synonyms

Pyrimidine, 2-(4-bromophenyl)- | 2-(4-Bromophenyl)pyrimidine | 2-(4-bromo-phenyl)pyrimidine | 2-(4-Bromo-phenyl)-pyrimidine | TS-03312 | 4-(Pyrimidin-2-yl)bromobenzene | SCHEMBL1000179 | B5806 | PFLPZHPQFNFTRF-UHFFFAOYSA-N | T70556 | SB59333 | MFCD0805632

Storage

Argon charged,Room temperature

Specifications

同義語

Pyrimidine, 2-(4-bromophenyl)- | 2-(4-Bromophenyl)pyrimidine | 2-(4-bromo-phenyl)pyrimidine | 2-(4-Bromo-phenyl)-pyrimidine | TS-03312 | 4-(Pyrimidin-2-yl)bromobenzene | SCHEMBL1000179 | B5806 | PFLPZHPQFNFTRF-UHFFFAOYSA-N | T70556 | SB59333 | MFCD0805632

仕様と純度

≥98%

保管条件

Argon charged,Room temperature

純度

≥98%

名前と識別子

• パブケム・シド: 504769193
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504769193
• カノニカル・スマイル: C1=CN=C(N=C1)C2=CC=C(C=C2)Br
• IUPAC Name: 2-(4-bromophenyl)pyrimidine
• InChIKey: PFLPZHPQFNFTRF-UHFFFAOYSA-N
• INCHI: 1S/C10H7BrN2/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h1-7H
• 異性体SMILES: C1=CN=C(N=C1)C2=CC=C(C=C2)Br
• 分子量: 235.08
• Reaxy-Rn: 9043238
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9043238&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Pyrimidines and pyrimidine derivatives Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bromobenzene - Pyrimidine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - 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 bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
• 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: Air Sensitive
• 融点（°C）: 138 °C
• 分子量: 235.080 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 233.979 Da
• Monoisotopic Mass: 233.979 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 149.000
• 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 ≥98% 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.

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

The CAS Number is 210354-17-9, the molecular formula is C10H7BrN2, and the molecular weight is 235.08 g/mol. InChIKey PFLPZHPQFNFTRF-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.