Bromohydroquinone - ≥90%(GC) , CAS No.583-69-7

CAS: 583-69-7 Cat. No.: B153212 Summenformel: C₆H₅BrO₂ Molekulargewicht: 189.01 Beilstein Registry Number: 6(4)5780 EG-Nummer: 209-516-2

GRADE & PURITY ≥90%(GC)

Synonyms

EINECS 209-516-2 | 2-BROMO-1,4-DIHYDROXYBENZENE | 2-Bromoquinol | 2-bromo-benzene-1,4-diol | 2-bromobenzene-1,4-diol | Q926579 | Bromoquinol | DTXSID6060397 | 2-Bromohydroquinone | BRN 2042870 | LS-13117 | NSC 3977 | 1-BROMO-2,5-DIHYDROXYBENZENE | 2-Bromo

Storage

Room temperature,Argon charged

Shipped In

Normal

Übersicht

Bromohydroquinone was used in the synthesis of Π-conjugated polymers composed of alkyl carbazole/dialkoxyphenylene and squaraine units via Sonogashira cross-coupling reactions. It was used in the preparation of 2-bromobenzoquinone.

Specifications

Synonyme

EINECS 209-516-2 | 2-BROMO-1,4-DIHYDROXYBENZENE | 2-Bromoquinol | 2-bromo-benzene-1,4-diol | 2-bromobenzene-1,4-diol | Q926579 | Bromoquinol | DTXSID6060397 | 2-Bromohydroquinone | BRN 2042870 | LS-13117 | NSC 3977 | 1-BROMO-2,5-DIHYDROXYBENZENE | 2-Bromo

Spezifikationen & Reinheit

≥90%(GC)

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥90%(GC)

Namen und Kennungen

• Pubchem Sid: 488184158
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184158
• Kanonisches Lächeln: C1=CC(=C(C=C1O)Br)O
• IUPAC Name: 2-bromobenzene-1,4-diol
• InChIKey: REFDOIWRJDGBHY-UHFFFAOYSA-N
• INCHI: 1S/C6H5BrO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H
• Isomere SMILES: C1=CC(=C(C=C1O)Br)O
• WGK Deutschland: 3
• RTECS: CZ8920000
• Molekulargewicht: 189.01
• Beilstein: 6(4)5780
• Reaxy-Rn: 2042870
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042870&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air sensitive
• Schmelzpunkt (°C): 114 °C
• Molekulargewicht: 189.010 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 187.947 Da
• Monoisotopic Mass: 187.947 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 97.100
• 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