2,4-Dichloropyrimidine - ≥98% , CAS No.3934-20-1

CAS: 3934-20-1 Cat. No.: D103228 Fórmula: C₄H₂Cl₂N₂ Peso molecular: 148.98 Beilstein Registry Number: 110911 Número CE: 223-508-6

GRADE & PURITY ≥98%

Synonyms

W-106442 | A6589 | Pyrimidine,2,4-dichloro- | AI3-26561 | UNII-YV96122OCD | 2,4-Dicloropyrimidine | 1,3 Butanediol dimethacrylate | AB00576 | EN300-18947 | Propanedinitrile,2-(2,4,7-trinitro-9H-fluoren-9-ylidene)- | 2,4 dichloropyrimidine | 2,4- dichlorop

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Visão geral

2,4-Dichloropyrimidine is a human skin sensitizer. It undergoes effective one-pot, regioselective double Suzuki coupling reaction to yield diarylated pyrimidines

Specifications

Sinónimos

W-106442 | A6589 | Pyrimidine,2,4-dichloro- | AI3-26561 | UNII-YV96122OCD | 2,4-Dicloropyrimidine | 1,3 Butanediol dimethacrylate | AB00576 | EN300-18947 | Propanedinitrile,2-(2,4,7-trinitro-9H-fluoren-9-ylidene)- | 2,4 dichloropyrimidine | 2,4- dichlorop

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504755187
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755187
• Sorrisos canónicos: C1=CN=C(N=C1Cl)Cl
• IUPAC Name: 2,4-dichloropyrimidine
• InChIKey: BTTNYQZNBZNDOR-UHFFFAOYSA-N
• INCHI: 1S/C4H2Cl2N2/c5-3-1-2-7-4(6)8-3/h1-2H
• SMILES isoméricas: C1=CN=C(N=C1Cl)Cl
• WGK Alemanha: 3
• Peso molecular: 148.98
• Beilstein: 110911
• Reaxy-Rn: 110911
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=110911&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Level5 Halopyrimidines
          • Level6 2-halopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Halopyrimidines
• Direct Parent: 2-halopyrimidines
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyrimidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Soluble in water (partly), methanol, chloroform, and ethyl acetate.
• Sensibilidade: air sensitive ，Moisture sensitive
• Ponto de ebulição (°C): 101°C/23mmHg
• Ponto de fusão (°C): 57-61°C
• Peso molecular: 148.980 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 147.96 Da
• Monoisotopic Mass: 147.96 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 78.400
• 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

Referências

1. Shuofeng Li, Zhi Li, Sicheng Ma, Lin Hao, Weihua Liu, Qianqian Wang, Chun Wang, Zhi Wang, Qiuhua Wu.  (2022)  Synthesis of nitrogen-rich magnetic hypercrosslinked polymer as robust adsorbent for the detection of neonicotinoids in honey, tomatoes, lettuce and Chinese cabbage.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:35853425] [10.1016/j.chroma.2022.463326]

Perguntas frequentes

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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 2–8 °C 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 3934-20-1, the molecular formula is C4H2Cl2N2, and the molecular weight is 148.98 g/mol. InChIKey BTTNYQZNBZNDOR-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.