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

CAS: 1722-12-9 Cat. No.: C132282 Summenformel: C₄H₃ClN₂ Molekulargewicht: 114.53 Beilstein Registry Number: 107171 EG-Nummer: 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

Lagerung bei 2-8°C, Argon geladen

Shipped In

Nasses Eis

Übersicht

Es wurde verwendet für die Synthese von: neuartigen Bis(2-(pyrimidin-2-yl)ethoxy)alkanen; 4′-(1,1′-(5-(2-Methoxyphenoxy)-[2,2′-bipyrimidin]-4,6-diyl)bis(1H-pyrazol-3,1-diyl)) Dianilin-Fluoreszenzfarbstoff, Biosensor für Proteintest; cis- und trans-Octahydropyrrolo[2,3]pyridin-Derivate; 2-Amino-4-heteroarylpyrimidine

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥99%(GC)

Storage

Lagerung bei 2-8°C, Argon geladen

Verschickt in

Nasses Eis

Reinheit

≥99%(GC)

Namen und Kennungen

• Pubchem Sid: 504754812
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754812
• Kanonisches Lächeln: 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
• Isomere SMILES: C1=CN=C(N=C1)Cl
• WGK Deutschland: 3
• Molekulargewicht: 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
    • Klasse Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Ebene5 Halopyrimidines
          • Ebene6 2-halopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Slightly soluble in water. 33.3 mg soluble in 1 mL of alcohol.
• Empfindlichkeit: Moisture & Heat & Air sensitive
• Flammpunkt (°F): 208.4 °F
• Flammpunkt (°C): 98 °C
• Siedepunkt (°C): 75-76 °C/10 mmHg
• Schmelzpunkt (°C): 63-66 °C
• Molekulargewicht: 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