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

CAS: 67092-18-6 Cat. No.: D177130 Formule: C₈H₄Cl₂N₂ Poids moléculaire: 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

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

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

Pureté

≥97%

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

C1=CC2=NC(=NC=C2C=C1Cl)Cl

Poids moléculaire

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
    • Classe Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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