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

CAS: 583-69-7 Cat. No.: B153212 Molecular Weight: 189.01 Beilstein Registry Number: 6(4)5780 EC Number: 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

Argon charged,Room temperature

Shipped In

Normal

Overview

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

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

Specifications & Purity

≥90%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥90%(GC)

Names and Identifiers

• Pubchem Sid: 488184158
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184158
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC(=C(C=C1O)Br)O
• WGK Germany: 3
• RTECS: CZ8920000
• Molecular Weight: 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
    • Class Phenols
      • Subclass 1,4-dihydroxy-2-halobenzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Melt Point(°C): 114 °C
• Molecular Weight: 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