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

CAS: 3934-20-1 Cat. No.: D103228 Peso molecular: 148.98 Beilstein Registry Number: 110911 Número EC: 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

Descripción general

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504755187
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755187
• Sonrisas canónicas: 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
• Isómeros SMILES: C1=CN=C(N=C1Cl)Cl
• WGK Alemania: 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
    • Clase Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Level5 Halopyrimidines
          • Level6 2-halopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water (partly), methanol, chloroform, and ethyl acetate.
• Sensibilidad: air sensitive ，Moisture sensitive
• Punto de ebullición (°C): 101°C/23mmHg
• Punto de fusión (°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

Referencias

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]