GRADE & PURITY ≥98%

Synonyms

EINECS 244-536-5 | XGXUGXPKRBQINS-UHFFFAOYSA- | DTXSID2074827 | 2,4-Dibromo-1-methoxybenzene | 2,4-dibromo-1-methoxy-benzene | MFCD00000079 | 2,4-bis(bromanyl)-1-methoxy-benzene | STL355307 | Anisole, 2,4-dibromo- | FT-0609986 | J-014244 | HMS551O15 | InC

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

EINECS 244-536-5 | XGXUGXPKRBQINS-UHFFFAOYSA- | DTXSID2074827 | 2, 4-Dibromo-1-methoxybenzene | 2, 4-dibromo-1-methoxy-benzene | MFCD00000079 | 2, 4-bis(bromanyl)-1-methoxy-benzene | STL355307 | Anisole, 2, 4-dibromo- | FT-0609986 | J-014244 | HMS551O15 | InC

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504753348
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753348
• Sonrisas canónicas: COC1=C(C=C(C=C1)Br)Br
• IUPAC Name: 2,4-dibromo-1-methoxybenzene
• InChIKey: XGXUGXPKRBQINS-UHFFFAOYSA-N
• INCHI: 1S/C7H6Br2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
• Isómeros SMILES: COC1=C(C=C(C=C1)Br)Br
• Peso molecular: 265.93
• Reaxy-Rn: 2045290
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045290&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Bromobenzenes Alkyl aryl ethers Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Ether - Organohalogen compound - Organic oxygen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

Propiedades químicas y físicas

• Punto de ebullición (°C): 101 °C/1 mmHg
• Punto de fusión (°C): 60 - 64 °C
• Peso molecular: 265.930 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 265.876 Da
• Monoisotopic Mass: 263.879 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 108.000
• 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

Referencias

1. An Yueqi, Ruan Qiufeng, Wenrong Li, Zhang Xuezhen, Xiong Shanbai.  (2023)  Comparison of volatile aroma compounds in commercial surimi and their products from freshwater fish and marine fish and aroma fingerprints establishment based on metabolomics analysis methods.  FOOD CHEMISTRY,      [PMID:37683479] [10.1016/j.foodchem.2023.137308]