1,4-Dibromo-2,5-dimethoxybenzene - ≥98%(GC) , CAS No.2674-34-2

CAS: 2674-34-2 Cat. No.: D124290 Molecular Weight: 295.96 Beilstein Registry Number: 1953103 EC Number: 629-351-3

GRADE & PURITY ≥98%(GC)

Synonyms

MFCD00025694 | 1,4-Dibromo-2,5-dimethoxybenzene, 97% | 2,5-Dibromo-4-methoxyanisole | J-503982 | 2,5-DIBROMO-1,4-DIMETHOXYBENZENE | 1,4-Dibromo-2,5-dimethoxybenzene | A818580 | EN300-21021 | EN300-160240 | 2-CHLORO-4,6-DINITROBENZOICACID | AMY41113 | 2,5-

Storage

Room temperature

Shipped In

Normal

Overview

Crystal structure of 1,4-dibromo-2,5-dimethoxybenzene has been reported to be monoclinic and its asymmetric unit is composed of one-half of the molecule.Lithium diisopropylamide (LDA) mediated metallation of 1,4-dibromo-2,5-dimethoxybenzene has been proposed

Specifications

Synonyms

MFCD00025694 | 1, 4-Dibromo-2, 5-dimethoxybenzene, 97% | 2, 5-Dibromo-4-methoxyanisole | J-503982 | 2, 5-DIBROMO-1, 4-DIMETHOXYBENZENE | 1, 4-Dibromo-2, 5-dimethoxybenzene | A818580 | EN300-21021 | EN300-160240 | 2-CHLORO-4, 6-DINITROBENZOICACID | AMY41113 | 2, 5-

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488188818
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188818
• Canonical Smiles: COC1=CC(=C(C=C1Br)OC)Br
• IUPAC Name: 1,4-dibromo-2,5-dimethoxybenzene
• InChIKey: CHCLRVOURKGRSW-UHFFFAOYSA-N
• INCHI: 1S/C8H8Br2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3
• Isomeric SMILES: COC1=CC(=C(C=C1Br)OC)Br
• WGK Germany: 3
• Molecular Weight: 295.96
• Beilstein: 1953103
• Reaxy-Rn: 1953103
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1953103&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenoxy compounds Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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: Insoluble in water.
• Melt Point(°C): 145.0-149.0°C
• Molecular Weight: 295.960 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 295.887 Da
• Monoisotopic Mass: 293.889 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 127.000
• 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