4-Bromodiphenyl ether - CAS 101-55-3
Catalog: |
BB000533 |
Product Name: |
4-Bromodiphenyl ether |
CAS: |
101-55-3 |
Synonyms: |
1-bromo-4-phenoxybenzene |
IUPAC Name: | 1-bromo-4-phenoxybenzene |
Description: | 4-Bromodiphenyl ether (CAS# 101-55-3) is a useful research chemical. |
Molecular Weight: | 249.10 |
Molecular Formula: | C12H9BrO |
Canonical SMILES: | C1=CC=C(C=C1)OC2=CC=C(C=C2)Br |
InChI: | InChI=1S/C12H9BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H |
InChI Key: | JDUYPUMQALQRCN-UHFFFAOYSA-N |
Boiling Point: | 305 °C |
Melting Point: | 18 °C |
Flash Point: | greater than 234 °F |
Purity: | 98 % |
Density: | 1.423 g/cm3 |
Solubility: | Insol in water |
Appearance: | Liquid. freezing point 18°c. density 1.423 g / cm3. insoluble or slightly soluble in water. |
Storage: | Store at away from heat, flames, or oxidizing materials. Ethers tend to oxidize when exposed to air, forming unstable peroxides that may detonate with extreme violence when concentrated by evaporation or distillation. When combined with other compounds tha |
MDL: | MFCD00000094 |
LogP: | 4.24140 |
Vapor Pressure: | 0.0015 [mmHg] |
GHS Hazard Statement: | H400 (97.66%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] |
Precautionary Statement: | P273, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113121517-A | Triazole derivative and preparation method and application thereof | 20210224 |
CN-113008720-A | Method for determining purity of 4-bromodiphenyl ether | 20210219 |
CN-113009011-A | 4,4' -dibromodiphenyl ether purity standard substance and preparation method thereof | 20210219 |
CN-113030297-A | 2,2',4,4' -tetrabromodiphenyl ether solution standard substance in methanol and preparation method thereof | 20210219 |
CN-112986421-A | Method for valuing 4-bromodiphenyl ether purity standard substance | 20210208 |
PMID | Publication Date | Title | Journal |
33582287 | 20210515 | Exposure to 4-bromodiphenyl ether during pregnancy blocks testis development in male rat fetuses | Toxicology letters |
31423765 | 20190916 | 4-Bromodiphenyl Ether Causes Adrenal Gland Dysfunction in Rats during Puberty | Chemical research in toxicology |
26109219 | 20151101 | Characterization of the molecular degradation mechanism of diphenyl ethers by Cupriavidus sp. WS | Environmental science and pollution research international |
22370205 | 20120430 | Microbial degradation of 4-monobrominated diphenyl ether with anaerobic sludge | Journal of hazardous materials |
20872819 | 20110201 | Biphenyl and ethylbenzene dioxygenases of Rhodococcus jostii RHA1 transform PBDEs | Biotechnology and bioengineering |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.98368 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.98368 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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