Bromanil - ≥98% , CAS No.488-48-2

CAS: 488-48-2 Cat. No.: T106848 Fórmula: C₆Br₄O₂ Peso molecular: 423.682 Beilstein Registry Number: 7604 Número CE: 207-679-4 PubChem CID: 68101

GRAU & PUREZA ≥98%

Synonyms

2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrabromo- | 2,4-dione, 2,3,5,6-tetrabromo- | p-Benzoquinone,3,5,6-tetrabromo- | AS-18102 | DTXSID20197608 | MFCD00013785 | Tetrabromo-1,4-benzoquinone | EINECS 207-679-4 | Tetrabromobenzoquinone | p-Bromoanil | 2,3,

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrabromo- | 2,4-dione, 2,3,5,6-tetrabromo- | p-Benzoquinone,3,5,6-tetrabromo- | AS-18102 | DTXSID20197608 | MFCD00013785 | Tetrabromo-1,4-benzoquinone | EINECS 207-679-4 | Tetrabromobenzoquinone | p-Bromoanil | 2,3,

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504754249

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754249

Sorrisos canónicos

C1(=C(C(=O)C(=C(C1=O)Br)Br)Br)Br

IUPAC Name

2,3,5,6-tetrabromocyclohexa-2,5-diene-1,4-dione

InChIKey

LWHDQPLUIFIFFT-UHFFFAOYSA-N

INCHI

1S/C6Br4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11

SMILES isoméricas

C1(=C(C(=O)C(=C(C1=O)Br)Br)Br)Br

RTECS

DK6772500

PubChem CID

68101

Peso molecular

423.682

Beilstein

7604

Reaxy-Rn

1912183

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones
            • Level7 Quinones
              • Level8 Benzoquinones
                • Level9 P-benzoquinones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Cyclic ketones - Quinones - Benzoquinones
• Direct Parent: P-benzoquinones
• Alternative Parents: Vinylogous halides Alpha-haloketones Vinyl bromides Bromoalkenes Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: P-benzoquinone - Alpha-haloketone - Vinylogous halide - Bromoalkene - Haloalkene - Vinyl halide - Vinyl bromide - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as p-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 4-positions, respectively.
• 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

Propriedades químicas e físicas

• Solubilidade: Insoluble in water
• Sensibilidade: Light sensitive.
• Ponto de fusão (°C): 290-297°C
• Peso molecular: 423.680 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 423.659 Da
• Monoisotopic Mass: 419.663 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 277.000
• 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