Bromanil - ≥98% , CAS No.488-48-2

CAS: 488-48-2 Cat. No.: T106848 Summenformel: C₆Br₄O₂ Molekulargewicht: 423.682 Beilstein Registry Number: 7604 EG-Nummer: 207-679-4 PubChem CID: 68101

QUALITÄT & REINHEIT ≥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

Spezifikationen

Synonyme

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,

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504754249

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

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

RTECS

DK6772500

PubChem CID

68101

Molekulargewicht

423.682

Beilstein

7604

Reaxy-Rn

1912183

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Cyclic ketones
            • Ebene7 Quinones
              • Ebene8 Benzoquinones
                • Ebene9 P-benzoquinones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water
• Empfindlichkeit: Light sensitive.
• Schmelzpunkt (°C): 290-297°C
• Molekulargewicht: 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