2,6-Dichloroquinazoline - ≥97% , CAS No.67092-18-6

CAS: 67092-18-6 Cat. No.: D177130 Summenformel: C₈H₄Cl₂N₂ Molekulargewicht: 199.03

GRADE & PURITY ≥97%

Synonyms

AS-42243 | Quinazoline, 2,6-dichloro- | PB47193 | SY099095 | AKOS025405528 | MFCD15527159 | SCHEMBL2595849 | 2,6-DICHLOROQUINAZOLINE | 2,6-DICHLORO-QUINAZOLINE | XRATUNPMHQSOFL-UHFFFAOYSA-N | DTXSID30497141 | AMY34699 | A835628

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

AS-42243 | Quinazoline, 2,6-dichloro- | PB47193 | SY099095 | AKOS025405528 | MFCD15527159 | SCHEMBL2595849 | 2,6-DICHLOROQUINAZOLINE | 2,6-DICHLORO-QUINAZOLINE | XRATUNPMHQSOFL-UHFFFAOYSA-N | DTXSID30497141 | AMY34699 | A835628

Spezifikationen & Reinheit

≥97%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: C1=CC2=NC(=NC=C2C=C1Cl)Cl
• IUPAC Name: 2,6-dichloroquinazoline
• InChIKey: XRATUNPMHQSOFL-UHFFFAOYSA-N
• INCHI: 1S/C8H4Cl2N2/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-4H
• Isomere SMILES: C1=CC2=NC(=NC=C2C=C1Cl)Cl
• Molekulargewicht: 199.03
• Reaxy-Rn: 742963
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742963&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: 2-halopyrimidines Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - 2-halopyrimidine - Halopyrimidine - Benzenoid - Pyrimidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
• 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

• Molekulargewicht: 199.030 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 197.975 Da
• Monoisotopic Mass: 197.975 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 165.000
• 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