α,α,α′,α′-Tetrabromo-o-xylene - ≥97% , CAS No.13209-15-9

CAS: 13209-15-9 Cat. No.: T166952 Peso molecular: 421.75 Beilstein Registry Number: 2211700 Número EC: 236-176-2 PubChem CID: 83234

GRADE & PURITY ≥97%

Synonyms

3WG2H68VX4 | Methanone, phenyl-4-piperidinyl- | MFCD02181193 | Benzene,2-bis(dibromomethyl)- | EINECS 236-176-2 | 6-Methyl-3-nitro-2-pyridinamine | .alpha.,.alpha.,.alpha.1,.alpha.1-Tetrabromo-o-xylene | NSC 38607 | o-Xylylene Tetrabromide | alpha , alpha

Storage

Protected from light,Room temperature

Shipped In

Normal

Descripción general

Application

α,α,α′,α′-Tetrabromo-o-xylene can be employed as a precursor for the synthesis of:Poly(o-phenylene vinylene) (o-PPV) via electrochemical polymerization.

A pentacene derivative by reacting with naphthalene moieties for the development of organic thin-film transistors (OTFTs).

Bitopic pyrazole containing ligands.

Specifications

Sinónimos

3WG2H68VX4 | Methanone, phenyl-4-piperidinyl- | MFCD02181193 | Benzene, 2-bis(dibromomethyl)- | EINECS 236-176-2 | 6-Methyl-3-nitro-2-pyridinamine | .alpha., .alpha., .alpha.1, .alpha.1-Tetrabromo-o-xylene | NSC 38607 | o-Xylylene Tetrabromide | alpha , alpha

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C(=C1)C(Br)Br)C(Br)Br
• IUPAC Name: 1,2-bis(dibromomethyl)benzene
• InChIKey: LNAOKZKISWEZNY-UHFFFAOYSA-N
• INCHI: 1S/C8H6Br4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,7-8H
• Isómeros SMILES: C1=CC=C(C(=C1)C(Br)Br)C(Br)Br
• WGK Alemania: 3
• PubChem CID: 83234
• Peso molecular: 421.75
• Beilstein: 2211700

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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: Insoluble in water
• Sensibilidad: Light Sensitive
• Índice de refracción: 1.685
• Punto de inflamación (°C): 157.8ºC
• Punto de ebullición (°C): 343.9ºC at 760 mmHg
• Punto de fusión (°C): 114-118℃
• Peso molecular: 421.750 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 421.716 Da
• Monoisotopic Mass: 417.72 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 119.000
• 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