5-Bromopyrimidine - ≥98% , CAS No.4595-59-9

CAS: 4595-59-9 Cat. No.: B107005 분자식: C₄H₃BrN₂ 분자량: 158.98 Beilstein Registry Number: 107326 EC 번호: 224-992-1

GRADE & PURITY ≥98%

Synonyms

EINECS 224-992-1 | EN300-29556 | HY-W008017 | 5Z9X6MAT38 | PS-3029 | 1,6-hexanedione | SY004103 | Pyrimidine, 5-bromo- | AM20100172 | DTXSID4063531 | HHN | STR00327 | FT-0604348 | 6-amino-1,7-dihydropurin-2-one | MFCD00006117 | 5-bromo-pyrimidine | SCHEMB

Storage

Protected from light,Room temperature

Shipped In

Normal

개요

Rapid nucleophilic displacement reactions of 5-bromopyrimidine with nucleophiles under microwave irradiation has been studied. 5-Bromopyrimidine undergoes direct metallation with lithuium diisopropylamide to yield 4-lithio-5-bromopyrimidine.

Specifications

동의어

EINECS 224-992-1 | EN300-29556 | HY-W008017 | 5Z9X6MAT38 | PS-3029 | 1,6-hexanedione | SY004103 | Pyrimidine, 5-bromo- | AM20100172 | DTXSID4063531 | HHN | STR00327 | FT-0604348 | 6-amino-1,7-dihydropurin-2-one | MFCD00006117 | 5-bromo-pyrimidine | SCHEMB

사양 및 순도

≥98%

보관 조건

Protected from light,Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

• Pubchem Sid: 488185566
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185566
• 정식 스마일: C1=C(C=NC=N1)Br
• IUPAC Name: 5-bromopyrimidine
• InChIKey: GYCPLYCTMDTEPU-UHFFFAOYSA-N
• INCHI: 1S/C4H3BrN2/c5-4-1-6-3-7-2-4/h1-3H
• 이성체 SMILES: C1=C(C=NC=N1)Br
• WGK 독일: 3
• 분자량: 158.98
• Beilstein: 107326
• Reaxy-Rn: 107326
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107326&ln=

Taxonomic Classification

Taxonomy Tree

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

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

관련 대상(비인간)

Mycobacterium avium (4587 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Mus musculus (284745 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in Chloroform
• 감도: Light sensitive.
• 끓는점(°C): 168°C
• 녹는점(°C): 69-73°C
• 분자량: 158.980 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 157.948 Da
• Monoisotopic Mass: 157.948 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 51.700
• 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: 1

참고 문헌

1. Maosheng Chen, Chenyu Ye, Chengqin Dai, Ruixiang Li, Ruijuan Qi, Chunhua Luo, Hui Peng, Hechun Lin.  (2023)  Self-assembly formation of CuI hybrid micron phosphors with tunable emission for multifunctional applications.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:36791481] [10.1016/j.jcis.2023.01.083]

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, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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 4595-59-9, the molecular formula is C4H3BrN2, and the molecular weight is 158.98 g/mol. InChIKey GYCPLYCTMDTEPU-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.