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

CAS: 1722-12-9 Cat. No.: C132282 Molecular Weight: 114.53 Beilstein Registry Number: 107171 EC Number: 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

Overview

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

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

Specifications & Purity

≥99%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%(GC)

Names and Identifiers

• Pubchem Sid: 504754812
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754812
• Canonical Smiles: 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
• Isomeric SMILES: C1=CN=C(N=C1)Cl
• WGK Germany: 3
• Molecular Weight: 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
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Level5 Halopyrimidines
          • Level6 2-halopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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

Chemical and Physical Properties

• Solubility: Slightly soluble in water. 33.3 mg soluble in 1 mL of alcohol.
• Sensitivity: Moisture & Heat & Air sensitive
• Flash Point(°F): 208.4 °F
• Flash Point(°C): 98 °C
• Boil Point(°C): 75-76 °C/10 mmHg
• Melt Point(°C): 63-66 °C
• Molecular Weight: 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