3-Bromodiphenyl ether - CAS 6876-00-2
Catalog: |
BB033626 |
Product Name: |
3-Bromodiphenyl ether |
CAS: |
6876-00-2 |
Synonyms: |
1-bromo-3-phenoxybenzene |
IUPAC Name: | 1-bromo-3-phenoxybenzene |
Description: | 3-Bromodiphenyl ether (CAS# 6876-00-2) is part of a group of compounds called polybrominated diphenyl ethers. 1-Bromo-3-phenoxybenzene, along with other similar compounds, are widely used in industry as brominated flame retardants. Unfortunately, with their release into the environment, they pose significant hazards to the humans and wildlife that live in surrounding areas. 1-Bromo-3-phenoxybenzene is also known to induce toxic effects on the central nervous system, the liver, and kidneys in rats. |
Molecular Weight: | 249.10 |
Molecular Formula: | C12H9BrO |
Canonical SMILES: | C1=CC=C(C=C1)OC2=CC(=CC=C2)Br |
InChI: | InChI=1S/C12H9BrO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H |
InChI Key: | AHDAKFFMKLQPTD-UHFFFAOYSA-N |
Boiling Point: | 301.3 °C at 760 mmHg |
Density: | 1.413 g/cm3 |
Appearance: | Clear yellow liquid |
MDL: | MFCD00474520 |
LogP: | 4.24140 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P333+P313, P362, P363, P391, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112341396-A | Novel monoacylglycerol esterase inhibitor and preparation method and application thereof | 20201104 |
KR-20210093155-A | Novel compound, preparation method thereof, and use thereof | 20200117 |
WO-2021145729-A1 | Novel compound, preparation method thereof, and use thereof | 20200117 |
WO-2021123237-A1 | 2-amino-n-(amino-oxo-aryl-lambda6-sulfanylidene)acetamide compounds and their therapeutic use | 20191219 |
JP-2021095342-A | Polycyclic aromatic compounds | 20191213 |
PMID | Publication Date | Title | Journal |
26109219 | 20151101 | Characterization of the molecular degradation mechanism of diphenyl ethers by Cupriavidus sp. WS | Environmental science and pollution research international |
16970372 | 20060921 | Gas-phase reactions of brominated diphenyl ethers with OH radicals | The journal of physical chemistry. A |
11523530 | 20010901 | A gas chromatography/high-resolution mass spectrometry (GC/HRMS) method for determination of polybrominated diphenyl ethers in fish | Chemosphere |
Complexity: | 166 |
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: | 4.6 |
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