Bromanil - ≥98% , CAS No.488-48-2

CAS: 488-48-2 Cat. No.: T106848 분자식: C₆Br₄O₂ 분자량: 423.682 Beilstein Registry Number: 7604 EC 번호: 207-679-4 PubChem CID: 68101

등급 & 순도 ≥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

사양

동의어

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,

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

504754249

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

RTECS

DK6772500

PubChem CID

68101

분자량

423.682

Beilstein

7604

Reaxy-Rn

1912183

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Insoluble in water
• 감도: Light sensitive.
• 녹는점(°C): 290-297°C
• 분자량: 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