5-Bromchinazolin - ≥97% , CAS No.958452-00-1

CAS: 958452-00-1 Cat. No.: B178547 Summenformel: C₈H₅BrN₂ Molekulargewicht: 209.046

GRADE & PURITY ≥97%

Synonyms

J-517209 | PB25306 | IAQNFOPKXLQOLR-UHFFFAOYSA-N | A19355 | FT-0684807 | SCHEMBL1502533 | FS-2884 | SY108776 | MFCD11036107 | AKOS015919867 | DTXSID40669695 | AM20050004 | 5-BROMOQUINAZOLINE

Storage

Raumtemperatur

Shipped In

Normal

Specifications

Synonyme

J-517209 | PB25306 | IAQNFOPKXLQOLR-UHFFFAOYSA-N | A19355 | FT-0684807 | SCHEMBL1502533 | FS-2884 | SY108776 | MFCD11036107 | AKOS015919867 | DTXSID40669695 | AM20050004 | 5-BROMOQUINAZOLINE

Spezifikationen & Reinheit

≥97%

Storage

Raumtemperatur

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488201156

Kanonisches Lächeln

C1=CC2=NC=NC=C2C(=C1)Br

IUPAC Name

5-bromoquinazoline

InChIKey

IAQNFOPKXLQOLR-UHFFFAOYSA-N

INCHI

1S/C8H5BrN2/c9-7-2-1-3-8-6(7)4-10-5-11-8/h1-5H

Isomere SMILES

C1=CC2=NC=NC=C2C(=C1)Br

Molekulargewicht

209.046

Reaxy-Rn

28176403

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28176403&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: Pyrimidines and pyrimidine derivatives Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Benzenoid - Pyrimidine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - 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: 209.040 g/mol
• XLogP3: 2.200
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 958452-00-1, the molecular formula is C8H5BrN2, and the molecular weight is 209.046 g/mol. InChIKey IAQNFOPKXLQOLR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.