Benzyl phenyl ether - CAS 946-80-5
Catalog: |
BB041455 |
Product Name: |
Benzyl phenyl ether |
CAS: |
946-80-5 |
Synonyms: |
phenoxymethylbenzene |
IUPAC Name: | phenoxymethylbenzene |
Description: | Benzyl phenyl ether (CAS# 946-80-5) is a useful research chemical. |
Molecular Weight: | 184.23 |
Molecular Formula: | C13H12O |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC=CC=C2 |
InChI: | InChI=1S/C13H12O/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10H,11H2 |
InChI Key: | BOTNYLSAWDQNEX-UHFFFAOYSA-N |
Boiling Point: | 287.1 °C at 760 mmHg |
Density: | 1.057 g/cm3 |
Appearance: | White to yellow solid |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD00020660 |
LogP: | 3.26560 |
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-2021122740-A1 | Polycyclic compounds for organic electroluminescent devices | 20191219 |
WO-2021122868-A1 | Compounds for electronic devices | 20191219 |
WO-2021122538-A1 | Aromatic compounds for organic electroluminescent devices | 20191218 |
EP-3839008-A1 | Liquid crystal medium | 20191217 |
US-2021179942-A1 | Liquid crystal medium | 20191217 |
PMID | Publication Date | Title | Journal |
23871911 | 20130901 | Synthesis and antiprotozoal activities of benzyl phenyl ether diamidine derivatives | European journal of medicinal chemistry |
21920030 | 20111201 | Synthesis and antifungal activity of 1-[(2-benzyloxy)phenyl]-2-(azol-1-yl)ethanone derivatives: exploring the scaffold flexibility | Chemical biology & drug design |
22220058 | 20111101 | C-H⋯π packing inter-actions in 2-[5,5-bis-(4-benzyl-oxyphen-yl)-3-cyano-4-methyl-2,5-dihydro-furan-2-yl-idene]malononitrile | Acta crystallographica. Section E, Structure reports online |
21892968 | 20110906 | Homology modeling of mosquito cytochrome P450 enzymes involved in pyrethroid metabolism: insights into differences in substrate selectivity | BMC research notes |
21633391 | 20110602 | Salinomycin induces calpain and cytochrome c-mediated neuronal cell death | Cell death & disease |
Complexity: | 143 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.088815002 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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