4,6-Dichloroquinazoline - ≥97% , CAS No.7253-22-7

CAS: 7253-22-7 Cat. No.: D121883 Summenformel: C₈H₄C_l2N₂ Molekulargewicht: 199.04 EG-Nummer: 620-772-8

GRADE & PURITY ≥97%

Synonyms

MFCD00089492 | AKOS001416940 | EN300-11620 | JEBCOVKUVLFOGR-UHFFFAOYSA-N | F2184-0231 | SCHEMBL856909 | BCP27575 | AC-22859 | 4,6-dichloroquinazoline | 4,6-dichloro-quinazoline | AB03250 | NSC58591 | NSC-58591 | J-514153 | STL125478 | Z119990034 | A9432 |

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

MFCD00089492 | AKOS001416940 | EN300-11620 | JEBCOVKUVLFOGR-UHFFFAOYSA-N | F2184-0231 | SCHEMBL856909 | BCP27575 | AC-22859 | 4,6-dichloroquinazoline | 4,6-dichloro-quinazoline | AB03250 | NSC58591 | NSC-58591 | J-514153 | STL125478 | Z119990034 | A9432 |

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

528759528

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528759528

Kanonisches Lächeln

C1=CC2=C(C=C1Cl)C(=NC=N2)Cl

IUPAC Name

4,6-dichloroquinazoline

InChIKey

JEBCOVKUVLFOGR-UHFFFAOYSA-N

INCHI

1S/C8H4Cl2N2/c9-5-1-2-7-6(3-5)8(10)12-4-11-7/h1-4H

Isomere SMILES

C1=CC2=C(C=C1Cl)C(=NC=N2)Cl

Molekulargewicht

199.04

Reaxy-Rn

133113

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=133113&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: Halopyrimidines Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Halopyrimidine - Benzenoid - Pyrimidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen 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

• Empfindlichkeit: Moisture sensitive
• 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