2,5-Dibromohydroquinone - ≥98% , CAS No.14753-51-6

CAS: 14753-51-6 Cat. No.: D138254 分子式: (Br)₂C₆H₂(OH)₂ 分子量: 267.9 EC番号: 629-317-8

GRADE & PURITY ≥98%

Synonyms

VALXCIRMSIFPFN-UHFFFAOYSA-N | 2,5-Dibromohydroquinone, 97% | SCHEMBL48448 | 2,5-dibromo-1,4-dihydroxybenzene | DTXSID90299865 | 2,5-Dibromo-benzene-1,4-diol | 2,5-dibromobenzene-1,4-diol | AKOS015897203 | NSC133363 | NSC-133363 | Q209230 | 1,4-Benzenediol

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

VALXCIRMSIFPFN-UHFFFAOYSA-N | 2,5-Dibromohydroquinone, 97% | SCHEMBL48448 | 2,5-dibromo-1,4-dihydroxybenzene | DTXSID90299865 | 2,5-Dibromo-benzene-1,4-diol | 2,5-dibromobenzene-1,4-diol | AKOS015897203 | NSC133363 | NSC-133363 | Q209230 | 1,4-Benzenediol

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

488189236

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488189236

カノニカル・スマイル

C1=C(C(=CC(=C1Br)O)Br)O

IUPAC Name

2,5-dibromobenzene-1,4-diol

InChIKey

VALXCIRMSIFPFN-UHFFFAOYSA-N

INCHI

1S/C6H4Br2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H

異性体SMILES

C1=C(C(=CC(=C1Br)O)Br)O

WGKドイツ

3

分子量

267.9

Reaxy-Rn

2501861

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2501861&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenols
      • Subclass 1,4-dihydroxy-2-halobenzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenols
• Subclass: 1,4-dihydroxy-2-halobenzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-dihydroxy-2-halobenzenoids
• Alternative Parents: O-bromophenols M-bromophenols Hydroquinones Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,4-dihydroxy-2-halobenzenoid - 3-halophenol - 2-halophenol - Hydroquinone - 3-bromophenol - 2-bromophenol - Bromobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as 1,4-dihydroxy-2-halobenzenoids. These are aromatic compounds containing a 1,-2-dihydroxybenzene moiety, which carries an halogen atom at the ring 2-position.
• 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: Soluble in methanol
• 融点（°C）: 191-195℃
• 分子量: 267.900 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 267.856 Da
• Monoisotopic Mass: 265.858 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 106.000
• 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