1,3,5-Tribromobenzene - ≥98% , CAS No.626-39-1

CAS: 626-39-1 Cat. No.: T104699 Peso molecular: 314.8 Beilstein Registry Number: 1858917 Número EC: 210-947-3 PubChem CID: 12279

GRADE & PURITY ≥98%

Synonyms

W-104975 | SY006267 | Benzene,3,5-tribromo- | EINECS 210-947-3 | 1,3,5-Tribromobenzene, 98% | AI3-15483 | 1,3,5-tribromobezene | DTXCID0030879 | CAS-626-39-1 | A833903 | NCGC00357185-01 | 1,3,5-Tribromobenzene, purum, >=98.0% (AT) | AM20061088 | SCHEMBL24

Storage

Room temperature

Shipped In

Normal

Descripción general

Incompatible with strong oxidizing agents.
1,3,5-Tribromobenzene is used as an intermediate for active pharmaceutical ingredient manufacturing. It acts as an intermediate for the preparation of 1,3,5-trimethoxytoluene. It forms molecular complexes with [60]-and [70] fullerenes. Further, it is employed as an internal standard during derivatization step in the determination of cyanide in human plasma and urine by gas chromatography-mass spectrometry. In addition to this, it reacts with the perfluoroalkenylzinc reagent in the presence of tetrakis(triphenylphosphine)palladium catalyst to yield a trifunctional monomer 1,3,5-tris(alfa, beta, beta-trifluorovinyl)benzene.

Specifications

Sinónimos

W-104975 | SY006267 | Benzene, 3, 5-tribromo- | EINECS 210-947-3 | 1, 3, 5-Tribromobenzene, 98% | AI3-15483 | 1, 3, 5-tribromobezene | DTXCID0030879 | CAS-626-39-1 | A833903 | NCGC00357185-01 | 1, 3, 5-Tribromobenzene, purum, >=98.0% (AT) | AM20061088 | SCHEMBL24

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488181603
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181603
• Sonrisas canónicas: C1=C(C=C(C=C1Br)Br)Br
• IUPAC Name: 1,3,5-tribromobenzene
• InChIKey: YWDUZLFWHVQCHY-UHFFFAOYSA-N
• INCHI: 1S/C6H3Br3/c7-4-1-5(8)3-6(9)2-4/h1-3H
• Isómeros SMILES: C1=C(C=C(C=C1Br)Br)Br
• WGK Alemania: 3
• PubChem CID: 12279
• Número ONU: 2811
• Peso molecular: 314.8
• Beilstein: 1858917

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: 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

• Solubilidad: Soluble in hot ethanol and acetic acid. Insoluble in water.
• Sensibilidad: Light sensitive.
• Punto de ebullición (°C): 271°C
• Punto de fusión (°C): 117-124℃
• Peso molecular: 314.800 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 313.776 Da
• Monoisotopic Mass: 311.778 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 63.300
• 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

Referencias

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