1-Bromo-2,5-dimethoxybenzene - CAS 25245-34-5
Catalog: |
BB018814 |
Product Name: |
1-Bromo-2,5-dimethoxybenzene |
CAS: |
25245-34-5 |
Synonyms: |
Benzene, 2-bromo-1,4-dimethoxy-; 2,5-Dimethoxybromobenzene; 2,5-Dimethoxyphenyl bromide; 2-Bromo-4-methoxyanisole; NSC 159052 |
IUPAC Name: | 2-bromo-1,4-dimethoxybenzene |
Description: | 1-Bromo-2,5-dimethoxybenzene can be used as a chemical redox shuttle additive in Lithium ion batteries for repeated overcharge and overdischarge protection. |
Molecular Weight: | 217.06 |
Molecular Formula: | C8H9BrO2 |
Canonical SMILES: | COC1=CC(=C(C=C1)OC)Br |
InChI: | InChI=1S/C8H9BrO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H3 |
InChI Key: | DWCGNRKFLRLWCJ-UHFFFAOYSA-N |
Boiling Point: | 252-258°C |
Melting Point: | 108-110°C |
Purity: | ≥95% |
Density: | 1.412±0.06 g/cm3 |
Solubility: | Insoluble in Water |
Appearance: | Colorless to Light yellow Clear Liquid |
Storage: | Store at RT under inert atmosphere |
MDL: | MFCD00008355 |
LogP: | 2.46630 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021105261-A1 | Trpm8 modulators | 20191129 |
EP-3792989-A1 | Organic light emitting diode including boron compounds | 20190729 |
US-2021036233-A1 | Light emitting diode including boron compound | 20190729 |
US-2019077784-A1 | Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use | 20170914 |
WO-2019053634-A1 | MODULATORS OF THE TRANSMEMBRANE CONDUCTANCE REGULATORY PROTEIN OF CYSTIC FIBROSIS AND METHODS OF USE | 20170914 |
PMID | Publication Date | Title | Journal |
21579768 | 20100113 | 1-Bromo-4-chloro-2,5-dimethoxy-benzene | Acta crystallographica. Section E, Structure reports online |
Complexity: | 119 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.97859 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.97859 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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