8-Bromo-2,4-dichloroquinazoline - ≥98% , CAS No.331647-05-3

CAS: 331647-05-3 Cat. No.: B183757 Peso molecular: 277.9 Número EC: 823-087-4

GRADE & PURITY ≥98%

Synonyms

C8H3BrCl2N2 | Quinazoline, 8-bromo-2,4-dichloro- | J-519380 | MFCD09954891 | DTXSID70549436 | FT-0682246 | BHXJPWCPEFXWMH-UHFFFAOYSA-N | 2,4-DICHLORO-8-BROMOQUINAZOLINE | SCHEMBL558543 | EN300-263062 | 8-bromo-2,4-dichloroquinazoline | 8-Bromo-2,4-dichlor

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

C8H3BrCl2N2 | Quinazoline, 8-bromo-2, 4-dichloro- | J-519380 | MFCD09954891 | DTXSID70549436 | FT-0682246 | BHXJPWCPEFXWMH-UHFFFAOYSA-N | 2, 4-DICHLORO-8-BROMOQUINAZOLINE | SCHEMBL558543 | EN300-263062 | 8-bromo-2, 4-dichloroquinazoline | 8-Bromo-2, 4-dichlor

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504767504
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767504
• Sonrisas canónicas: C1=CC2=C(C(=C1)Br)N=C(N=C2Cl)Cl
• IUPAC Name: 8-bromo-2,4-dichloroquinazoline
• InChIKey: BHXJPWCPEFXWMH-UHFFFAOYSA-N
• INCHI: 1S/C8H3BrCl2N2/c9-5-3-1-2-4-6(5)12-8(11)13-7(4)10/h1-3H
• Isómeros SMILES: C1=CC2=C(C(=C1)Br)N=C(N=C2Cl)Cl
• Peso molecular: 277.9
• Reaxy-Rn: 14715702
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14715702&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: 2-halopyrimidines Benzenoids Aryl chlorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - 2-halopyrimidine - Halopyrimidine - Aryl bromide - Aryl chloride - Aryl halide - Benzenoid - Pyrimidine - Heteroaromatic compound - Azacycle - Organobromide - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organochloride - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 277.930 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 275.886 Da
• Monoisotopic Mass: 275.886 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 193.000
• 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