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

CAS: 583-69-7 Cat. No.: B153212 Formule: C₆H₅BrO₂ Poids moléculaire: 189.01 Beilstein Registry Number: 6(4)5780 Numéro CE: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥90%(GC)

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥90%(GC)

Noms et identifiants

Pubchem Sid

488184158

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184158

Sourires canoniques

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

Isomères SMILES

C1=CC(=C(C=C1O)Br)O

WGK Allemagne

3

RTECS

CZ8920000

Poids moléculaire

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
    • Classe Phenols
      • Subclass 1,4-dihydroxy-2-halobenzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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

Propriétés chimiques et physiques

• Sensibilité: Air sensitive
• Point de fusion (°C): 114 °C
• Poids moléculaire: 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