1-Bromo-2,5-dimethoxybenzene - ≥98% , CAS No.25245-34-5

CAS: 25245-34-5 Cat. No.: B101643 Molecular Weight: 217.06 Beilstein Registry Number: 6(4)5780 EC Number: 246-756-7

GRADE & PURITY ≥98%

Synonyms

2-bromo-4-methoxyanisole | AKOS000194136 | MFCD00008355 | 3,4-dimethoxybenzene boronic acid | MFCD00134409 | NSC 159052 | SY017069 | J-640431 | 2-bromo-1,4-dimethoxybenzene (14) | AM20040027 | J-800278 | 1-Bromo-2,5-dimethoxybenzene, 98% | AC-15233 | FT-0

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Overview

1-Bromo-2,5-dimethoxybenzene has been used in preparation of: 1. S-(-)-2-[N-(trifluoroacetyl)amino]-1-(2,5-dimethoxy-4- bromophenyl)-1-propanone 2. 1,4-bis{4-[2-(4-pyridyl)ethenyl]phenyl}butadiyne and 1,4-bis{2,5-dimethoxy-4-[2-(4-pyridyl)ethenyl]phenyl}butadiyne 3. 1-bromo-4-iodo-2,5-dimethoxybenzene

Specifications

Synonyms

2-bromo-4-methoxyanisole | AKOS000194136 | MFCD00008355 | 3, 4-dimethoxybenzene boronic acid | MFCD00134409 | NSC 159052 | SY017069 | J-640431 | 2-bromo-1, 4-dimethoxybenzene (14) | AM20040027 | J-800278 | 1-Bromo-2, 5-dimethoxybenzene, 98% | AC-15233 | FT-0

Specifications & Purity

≥98%

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488186649
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186649
• Canonical Smiles: COC1=CC(=C(C=C1)OC)Br
• IUPAC Name: 2-bromo-1,4-dimethoxybenzene
• InChIKey: DWCGNRKFLRLWCJ-UHFFFAOYSA-N
• INCHI: 1S/C8H9BrO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H3
• Isomeric SMILES: COC1=CC(=C(C=C1)OC)Br
• WGK Germany: 3
• Molecular Weight: 217.06
• Beilstein: 6(4)5780
• Reaxy-Rn: 2441884
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2441884&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.
• Sensitivity: Air sensitive；Light sensitive
• Refractive Index: 1.57
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 130-131 °C/10 mmHg
• Molecular Weight: 217.060 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 215.979 Da
• Monoisotopic Mass: 215.979 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 119.000
• 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

References

1. Qihang Yu, Zeyi Yao, Jianyou Shi, Wu Tang, Chuan Wang, Di Li, Cong Fan.  (2020)  Electrochemically manipulating the redox state of 2,2′,5,5′-tetrahydroxybiphenyl as a new organic Li-rich cathode for Li-ion batteries.  ORGANIC ELECTRONICS,      [PMID:] [10.1016/j.orgel.2020.105661]

2. Zeyi Yao, Wu Tang, Xinxin Wang, Chuan Wang, Chuluo Yang, Cong Fan.  (2019)  Synthesis of 1,4-benzoquinone dimer as a high-capacity (501 mA h g−1) and high-energy-density (>1000 Wh kg−1) organic cathode for organic Li-Ion full batteries.  JOURNAL OF POWER SOURCES,      [PMID:] [10.1016/j.jpowsour.2019.227456]