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

CAS: 1074-24-4 Cat. No.: D122717 Peso molecular: 263.96 Beilstein Registry Number: 2080433 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488183753
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183753
• Sonrisas canónicas: 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
• Isómeros SMILES: CC1=CC(=C(C=C1Br)C)Br
• WGK Alemania: 3
• Peso molecular: 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
    • Clase Benzene and substituted derivatives
      • Subclass Xylenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in toluene, hot ethanol and hot methanol.Insoluble in water
• Punto de ebullición (°C): 150°C/21mmHg
• Punto de fusión (°C): 75°C
• Peso molecular: 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

Referencias

1. You Wang, Zhongke Dai, Jiajia Wang, Du Zhang, Fa Zhou, Jiawei Li, Jianhan Huang.  (2023)  Scheme-II heterojunction of Bi2WO6@Br-COFs hybrid materials for CO2 photocatalytic reduction.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.144559]

2. Zhenxing Cai, Jixiang Liu, Hui Zhao, Lingyan Wang, Xiaobo Chen, Chaohe Yang.  (2023)  Isobaric (Vapor + Liquid) Equilibria for Propylene Carbonate with para-Xylene, ortho-Xylene, meta-Xylene, and Ethylbenzene at 101.33 kPa.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,      [PMID:] [10.1021/acs.jced.3c00076]

3. Han Xingwei, Yu Wenjie, Zhang Lin, Li Hengye, Kong Fenying, Wang Wei.  (2022)  Carboxyl-functionalized porous aromatic framework for rapid, selective and efficient removal of cationic pollutants from water.  ANALYTICAL SCIENCES,  38  (2): (383-392).  [PMID:35314985] [10.2116/analsci.21P279]

4. Xiunan Zhang, Jingkang Wang, Fei Yu, Xiaowei Cheng, Yunhui Hao, Yue Liu, Xin Huang, Ting Wang, Hongxun Hao.  (2021)  Influence of additives on the polymorphic manipulation of organic fluorescent crystals and its mechanism.  CRYSTENGCOMM,  24  (4): (854-862).  [PMID:] [10.1039/D1CE01285A]

5. Shenling Wang, Yanling Geng, Xiaowei Sun, Rongyu Wang, Zhenjia Zheng, Shenghuai Hou, Xiao Wang, Wenhua Ji.  (2020)  Molecularly imprinted polymers prepared from a single cross-linking functional monomer for solid-phase microextraction of estrogens from milk.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:32823105] [10.1016/j.chroma.2020.461400]

6. Lulin Yan, Yan Zhang, Guang Ji, Lian Ma, Jinlong Chen, Bin Xu, Wenjing Tian.  (2016)  Multifunctional polymer nanoparticles: ultra bright near-infrared fluorescence and strong magnetization and their biological applications.  RSC Advances,  6  (70): (65426-65433).  [PMID:] [10.1039/C6RA07520G]

7. Wenjuan Chen, Lingqi Meng, Jinmiao Sun, Manman Mu, Xiaohong Yin.  (2024)  Vinyl-containing covalent organic frameworks co-polymerized with imidazolium ionic liquids for the efficient cycloaddition of CO2 with epoxides.  POLYMER,      [PMID:] [10.1016/j.polymer.2024.127639]