2-Chloropyrimidine - ≥99%(GC) , CAS No.1722-12-9

CAS: 1722-12-9 Cat. No.: C132282 Peso molecular: 114.53 Beilstein Registry Number: 107171 Número EC: 217-020-2

GRADE & PURITY ≥99%(GC)

Synonyms

chloropyrimidine | chloro-pyrimidine | AB00572 | STK803251 | 2-chloro pyrimidine | 2-pyrimidinyl chloride | BP-13180 | PYRIMIDINE, 2-CHLORO- | Q-101431 | 94EZW2WL9E | AC-2505 | Oxyclozanid | NSC43544 | NSC-43544 | 2-chloropyrirnidine | AM803332 | 9N74L1UD

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

It was used in the synthesis of: novel bis(2-(pyrimidin-2-yl)ethoxy)alkanes; 4′-(1,1′-(5-(2-methoxyphenoxy)-[2,2′-bipyrimidine]-4,6-diyl)bis(1H-pyrazol-3,1-diyl)) dianiline fluorescent dye, biosensor for protein assay; cis- and trans-octahydropyrrolo[2,3]pyridine derivatives; 2-amino-4-heteroarylpyrimidines

Specifications

Sinónimos

chloropyrimidine | chloro-pyrimidine | AB00572 | STK803251 | 2-chloro pyrimidine | 2-pyrimidinyl chloride | BP-13180 | PYRIMIDINE, 2-CHLORO- | Q-101431 | 94EZW2WL9E | AC-2505 | Oxyclozanid | NSC43544 | NSC-43544 | 2-chloropyrirnidine | AM803332 | 9N74L1UD

Especificaciones y pureza

≥99%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥99%(GC)

Nombres e identificadores

• Pubchem Sid: 504754812
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754812
• Sonrisas canónicas: C1=CN=C(N=C1)Cl
• IUPAC Name: 2-chloropyrimidine
• InChIKey: UNCQVRBWJWWJBF-UHFFFAOYSA-N
• INCHI: 1S/C4H3ClN2/c5-4-6-2-1-3-7-4/h1-3H
• Isómeros SMILES: C1=CN=C(N=C1)Cl
• WGK Alemania: 3
• Peso molecular: 114.53
• Beilstein: 107171
• Reaxy-Rn: 107171
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107171&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: Slightly soluble in water. 33.3 mg soluble in 1 mL of alcohol.
• Sensibilidad: Moisture & Heat & Air sensitive
• Punto de inflamación (°F): 208.4 °F
• Punto de inflamación (°C): 98 °C
• Punto de ebullición (°C): 75-76 °C/10 mmHg
• Punto de fusión (°C): 63-66 °C
• Peso molecular: 114.530 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 113.998 Da
• Monoisotopic Mass: 113.998 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