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

CAS: 1722-12-9 Cat. No.: C132282 Formule: C₄H₃ClN₂ Poids moléculaire: 114.53 Beilstein Registry Number: 107171 Numéro CE: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥99%(GC)

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥99%(GC)

Noms et identifiants

• Pubchem Sid: 504754812
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754812
• Sourires canoniques: 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
• Isomères SMILES: C1=CN=C(N=C1)Cl
• WGK Allemagne: 3
• Poids moléculaire: 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
    • 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Slightly soluble in water. 33.3 mg soluble in 1 mL of alcohol.
• Sensibilité: Moisture & Heat & Air sensitive
• Point d'éclair (°F): 208.4 °F
• Point d'éclair (°C): 98 °C
• Point d'ébullition (°C): 75-76 °C/10 mmHg
• Point de fusion (°C): 63-66 °C
• Poids moléculaire: 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