4-Bromoquinazoline - ≥98% , CAS No.354574-59-7

CAS: 354574-59-7 Cat. No.: B573435 Fórmula: C₈H₅BrN₂ Peso molecular: 209.05

GRADE & PURITY ≥98%

Synonyms

MFCD10697879 | 4-bromoquinazoline | 4-BROMO-QUINAZOLINE | FS-2937 | J-514842 | DTXSID00671976 | SY043224 | FT-0649840 | WJYKTNSYMVJDBR-UHFFFAOYSA-N | F1904-0009 | SCHEMBL3951708 | SB36794 | Quinazoline, 4-bromo- | AMY15229 | Z600501698 | AKOS010118255 | E

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

MFCD10697879 | 4-bromoquinazoline | 4-BROMO-QUINAZOLINE | FS-2937 | J-514842 | DTXSID00671976 | SY043224 | FT-0649840 | WJYKTNSYMVJDBR-UHFFFAOYSA-N | F1904-0009 | SCHEMBL3951708 | SB36794 | Quinazoline, 4-bromo- | AMY15229 | Z600501698 | AKOS010118255 | E

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 528760686
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528760686
• Sorrisos canónicos: C1=CC=C2C(=C1)C(=NC=N2)Br
• IUPAC Name: 4-bromoquinazoline
• InChIKey: WJYKTNSYMVJDBR-UHFFFAOYSA-N
• INCHI: 1S/C8H5BrN2/c9-8-6-3-1-2-4-7(6)10-5-11-8/h1-5H
• SMILES isoméricas: C1=CC=C2C(=C1)C(=NC=N2)Br
• Peso molecular: 209.05
• Reaxy-Rn: 8830021
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8830021&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: Halopyrimidines Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Halopyrimidine - Benzenoid - Pyrimidine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 209.040 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 207.964 Da
• Monoisotopic Mass: 207.964 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 140.000
• 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