4-Phenoxy-benzaldehyde - CAS 67-36-7
Catalog: |
BB033261 |
Product Name: |
4-Phenoxy-benzaldehyde |
CAS: |
67-36-7 |
Synonyms: |
p-Phenoxy-benzaldehyde; 4-Formyldiphenyl Ether; 4-Phenoxybenzenecarboxaldehyde |
IUPAC Name: | 4-phenoxybenzaldehyde |
Description: | 4-Phenoxy-benzaldehyde (CAS# 67-36-7) is a useful research chemical. |
Molecular Weight: | 198.22 |
Molecular Formula: | C13H10O2 |
Canonical SMILES: | C1=CC=C(C=C1)OC2=CC=C(C=C2)C=O |
InChI: | InChI=1S/C13H10O2/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-10H |
InChI Key: | QWLHJVDRPZNVBS-UHFFFAOYSA-N |
Boiling Point: | 185.0 °C at 14 mmHg |
Melting Point: | 24-25 °C |
Density: | 1.132 g/mL at 25 °C |
Solubility: | Soluble in Chloroform, Methanol |
Appearance: | Yellow low melting solid |
Storage: | 2-8 °C under inert atmosphere |
MDL: | MFCD00003383 |
LogP: | 3.29140 |
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 |
CN-113149830-A | Preparation method of 1,4 bis (4-phenoxybenzoyl) benzene and polyether ketone | 20210427 |
CN-112574200-A | Small molecule inhibitors of BTK and/or mutant C481S of BTK | 20210226 |
CN-112574200-B | Small molecule inhibitors of BTK and/or mutant C481S of BTK | 20210226 |
JP-6904528-B1 | New nitrogen-containing cyclic compounds and their uses | 20201016 |
CN-111925368-A | Pyrimidone derivatives, preparation method thereof and application thereof in resisting mycobacterium tuberculosis infection | 20200704 |
PMID | Publication Date | Title | Journal |
22079026 | 20120101 | Novel 2-(2-(4-aryloxybenzylidene) hydrazinyl)benzothiazole derivatives as anti-tubercular agents | Bioorganic & medicinal chemistry letters |
21981589 | 20111109 | Identification and structure elucidation of a p-phenoxybenzaldehyde in bamboo shoots by HPLC-ESI/MS/MS and NMR | Journal of agricultural and food chemistry |
21589079 | 20101023 | 2,7-Dimeth-oxy-1,8-bis-(4-phen-oxy-benzo-yl)naphthalene | Acta crystallographica. Section E, Structure reports online |
21588401 | 20100724 | 4-(Benz-yloxy)benzaldehyde | Acta crystallographica. Section E, Structure reports online |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.068079557 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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