GRADE & PURITY ≥98%(GC)(T)

Synonyms

BRN 2045283 | FT-0610559 | NSC 76596 | Phenol,6-dibromo-4-methyl- | Dibromocresol | AKOS001110835 | W-107331 | 2,6-Dibromo-p-cresol | WLN: QR BE FE D1 | FT-0610552 | SCHEMBL1502445 | 3,5-Dibromo-4-hydroxytoluene | 4K2AC6DDV3 | InChI=1/C7H6Br2O/c1-4-2-5(8)

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

BRN 2045283 | FT-0610559 | NSC 76596 | Phenol, 6-dibromo-4-methyl- | Dibromocresol | AKOS001110835 | W-107331 | 2, 6-Dibromo-p-cresol | WLN: QR BE FE D1 | FT-0610552 | SCHEMBL1502445 | 3, 5-Dibromo-4-hydroxytoluene | 4K2AC6DDV3 | InChI=1/C7H6Br2O/c1-4-2-5(8)

Specifications & Purity

≥98%(GC)(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)(T)

Names and Identifiers

• Pubchem Sid: 504752797
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752797
• Canonical Smiles: CC1=CC(=C(C(=C1)Br)O)Br
• IUPAC Name: 2,6-dibromo-4-methylphenol
• InChIKey: FIGPGTJKHFAYRK-UHFFFAOYSA-N
• INCHI: 1S/C7H6Br2O/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3
• Isomeric SMILES: CC1=CC(=C(C(=C1)Br)O)Br
• WGK Germany: 3
• RTECS: GO7700000
• Molecular Weight: 265.93
• Reaxy-Rn: 2045283
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045283&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Cresols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Cresols
• Intermediate Tree Nodes: Not available
• Direct Parent: Para cresols
• Alternative Parents: O-bromophenols Toluenes Bromobenzenes Aryl bromides Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-cresol - 2-bromophenol - 2-halophenol - Toluene - Halobenzene - Bromobenzene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as para cresols. These are compounds containing a para cresol moiety, which consists of a benzene ring bearing one hydroxyl group at ring positions 1 and 4.
• 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

• Solubility: Soluble in Methanol
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 140 °C/11 mmHg
• Melt Point(°C): 48 °C
• Molecular Weight: 265.930 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 265.876 Da
• Monoisotopic Mass: 263.879 Da
• Topological Polar Surface Area: 20.200 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