2,5-Dimethylbromobenzene - ≥98% , CAS No.553-94-6

CAS: 553-94-6 Cat. No.: D107975 Fórmula: C₈H₉Br Peso molecular: 185.06 Beilstein Registry Number: 5385 Número EC: 209-055-7

GRADE & PURITY ≥98%

Synonyms

AKOS000202444 | A8021 | 1,4-Dimethyl-2-bromobenzene | 2,5-Dimethylbromobenzene | EINECS 209-055-7 | NSC8051 | NSC-8051 | J-802069 | Bromo-p-xylene | Monobromo-p-Xylene | 2,5-Xylyl bromide | NSC 8051 | 2,5-Dimethylphenyl bromide | FT-0611610 | Q-101902 | 2

Storage

Protected from light,Room temperature

Shipped In

Normal

Descripción general

2-Bromo-1,4-dimethylbenzene was used in the synthesis of 2,5,2′,5′-tetrakismethylbiphenyl via Yamamoto coupling reaction. It was also used in the synthesis of cis-3,4-diphenyl-5,8-dimethylisocoumarins.

Specifications

Sinónimos

AKOS000202444 | A8021 | 1,4-Dimethyl-2-bromobenzene | 2,5-Dimethylbromobenzene | EINECS 209-055-7 | NSC8051 | NSC-8051 | J-802069 | Bromo-p-xylene | Monobromo-p-Xylene | 2,5-Xylyl bromide | NSC 8051 | 2,5-Dimethylphenyl bromide | FT-0611610 | Q-101902 | 2

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488181263
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181263
• Sonrisas canónicas: CC1=CC(=C(C=C1)C)Br
• IUPAC Name: 2-bromo-1,4-dimethylbenzene
• InChIKey: QXISTPDUYKNPLU-UHFFFAOYSA-N
• INCHI: 1S/C8H9Br/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3
• Isómeros SMILES: CC1=CC(=C(C=C1)C)Br
• WGK Alemania: 3
• Peso molecular: 185.06
• Beilstein: 5385
• Reaxy-Rn: 2040350
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2040350&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: p-Xylenes
• Alternative Parents: Bromobenzenes Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-xylene - Halobenzene - 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 p-xylenes. These are aromatic compounds that contain a p-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 4-positions.
• 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

• Sensibilidad: Light sensitive.
• Punto de congelación (°C): 7 °C
• Índice de refracción: 1.55
• Punto de inflamación (°F): 174.2 °F
• Punto de inflamación (°C): 79 °C
• Punto de ebullición (°C): 199-201°C
• Punto de fusión (°C): 9-10°C
• Peso molecular: 185.060 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 183.989 Da
• Monoisotopic Mass: 183.989 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 90.600
• 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 ≥98% 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 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 553-94-6, the molecular formula is C8H9Br, and the molecular weight is 185.06 g/mol. InChIKey QXISTPDUYKNPLU-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.