1,2-Dibromobenceno - ≥97% , CAS No.583-53-9

CAS: 583-53-9 Cat. No.: D107944 Fórmula: C₆H₄Br₂ Peso molecular: 235.9 Beilstein Registry Number: 970241 Número EC: 209-507-3

GRADE & PURITY ≥97%

Synonyms

BENCENO,1,2-DIBROMO | AKOS000121579 | NSC 60643 | MFCD00000057 | UN2711 | 1,2-DIBROMOBENCENO | SCHEMBL29314 | AM87079 | DTXSID0022064 | UNII-52K9W7U6EH | 1,2 dibromobenceno | CHEBI:37152 | Q5L1S3J96A | J-503806 | ortho-Dibromobenceno | AS-12663 | D0168 |

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Descripción general

el 1,2-dibromobenceno se utiliza como precursor en la preparación de 3-(2-bromofeniltio)-4H-[1]benzopiran-4-ona utilizando cobre como reactivo. Interviene en la preparación de isoindoloquinazolinonas mediante la reacción de carbonilación con 2-aminobencil amina utilizando paladio como catalizador.

Specifications

Sinónimos

BENCENO,1,2-DIBROMO | AKOS000121579 | NSC 60643 | MFCD00000057 | UN2711 | 1,2-DIBROMOBENCENO | SCHEMBL29314 | AM87079 | DTXSID0022064 | UNII-52K9W7U6EH | 1,2 dibromobenceno | CHEBI:37152 | Q5L1S3J96A | J-503806 | ortho-Dibromobenceno | AS-12663 | D0168 |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature

Enviado en

FedEx DG Service

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

504752117

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752117

Sonrisas canónicas

C1=CC=C(C(=C1)Br)Br

IUPAC Name

1,2-dibromobenzene

InChIKey

WQONPSCCEXUXTQ-UHFFFAOYSA-N

INCHI

1S/C6H4Br2/c7-5-3-1-2-4-6(5)8/h1-4H

Isómeros SMILES

C1=CC=C(C(=C1)Br)Br

WGK Alemania

3

Peso molecular

235.9

Beilstein

970241

Reaxy-Rn

970241

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=970241&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
• External Descriptors: dibromobenzene

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Miscible with ethanol, ethyl ether, acetone, chloroform, acetic acid, benzene, petroleum ether and tetrachloromethane. Immiscible with water.
• Sensibilidad: Light sensitive.
• Índice de refracción: 1.611
• Punto de inflamación (°F): 197.6 °F
• Punto de inflamación (°C): 92 °C
• Punto de ebullición (°C): 224°C
• Punto de fusión (°C): 4-6°C
• Peso molecular: 235.900 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 235.866 Da
• Monoisotopic Mass: 233.868 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 62.900
• 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

Preguntas frecuentes

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, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 583-53-9, the molecular formula is C6H4Br2, and the molecular weight is 235.9 g/mol. InChIKey WQONPSCCEXUXTQ-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.