Bromanil - ≥98% , CAS No.488-48-2

CAS: 488-48-2 Cat. No.: T106848 分子式: C₆Br₄O₂ 分子量: 423.682 Beilstein Registry Number: 7604 EC番号: 207-679-4 PubChem CID: 68101

グレード＆純度 ≥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

仕様

同義語

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,

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

504754249

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

RTECS

DK6772500

PubChem CID

68101

分子量

423.682

Beilstein

7604

Reaxy-Rn

1912183

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Insoluble in water
• 感度: Light sensitive.
• 融点（°C）: 290-297°C
• 分子量: 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