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

CAS: 210354-17-9 Cat. No.: B405355 분자식: C₁₀H₇BrN₂ 분자량: 235.08 EC 번호: 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

동의어

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

사양 및 순도

≥98%

보관 조건

Argon charged,Room temperature

순수함

≥98%

이름과 식별자

• Pubchem Sid: 504769193
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769193
• 정식 스마일: 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
• 이성체 SMILES: C1=CN=C(N=C1)C2=CC=C(C=C2)Br
• 분자량: 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
    • 분류 Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: Air Sensitive
• 녹는점(°C): 138 °C
• 분자량: 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

자주 묻는 질문

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.