1,4-Dibromo-2,5-dimethylbenzene - ≥98% , CAS No.1074-24-4

CAS: 1074-24-4 Cat. No.: D122717 Molecular Weight: 263.96 Beilstein Registry Number: 2080433 EC Number: 214-038-2

GRADE & PURITY ≥98%

Synonyms

A801693 | Benzene,4-dibromo-2,5-dimethyl- | D1841 | 2,5-Dimethyl-1,4-dibromobenzene | p-Xylene, 2,5-dibromo- | NSC 106321 | NSC106321 | NSC-106321 | AC-19502 | Benzene, 1,4-dibromo-2,5-dimethyl- | InChI=1/C8H8Br2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H | AM625

Storage

Room temperature

Shipped In

Normal

Overview

1,4-dibromo-2,5-dimethylbenzene has been used in the preparation of 4,4″-diformyl-2′,5′-dimethyl-1,1′.4′,1″-terphenyl. It has also been used in the preparation of 1,4-diformyl-2,5-dimethylbenzene.

Specifications

Synonyms

A801693 | Benzene, 4-dibromo-2, 5-dimethyl- | D1841 | 2, 5-Dimethyl-1, 4-dibromobenzene | p-Xylene, 2, 5-dibromo- | NSC 106321 | NSC106321 | NSC-106321 | AC-19502 | Benzene, 1, 4-dibromo-2, 5-dimethyl- | InChI=1/C8H8Br2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H, 1-2H | AM625

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488183753
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183753
• Canonical Smiles: CC1=CC(=C(C=C1Br)C)Br
• IUPAC Name: 1,4-dibromo-2,5-dimethylbenzene
• InChIKey: QENIALCDPFDFHX-UHFFFAOYSA-N
• INCHI: 1S/C8H8Br2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3
• Isomeric SMILES: CC1=CC(=C(C=C1Br)C)Br
• WGK Germany: 3
• Molecular Weight: 263.96
• Beilstein: 2080433
• Reaxy-Rn: 2080433
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2080433&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: p-Xylenes
• Alternative Parents: Bromobenzenes Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-xylene - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as p-xylenes. These are aromatic compounds that contain a p-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 4-positions.
• 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 toluene, hot ethanol and hot methanol.Insoluble in water
• Boil Point(°C): 150°C/21mmHg
• Melt Point(°C): 75°C
• Molecular Weight: 263.960 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 263.897 Da
• Monoisotopic Mass: 261.899 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 99.800
• 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

References

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