4-(4-Formylphenoxy)benzonitrile - CAS 90178-71-5
Catalog: |
BB039780 |
Product Name: |
4-(4-Formylphenoxy)benzonitrile |
CAS: |
90178-71-5 |
Synonyms: |
4-(4-formylphenoxy)benzonitrile |
IUPAC Name: | 4-(4-formylphenoxy)benzonitrile |
Description: | 4-(4-Formylphenoxy)benzonitrile (CAS# 90178-71-5) is a useful research chemical. |
Molecular Weight: | 223.23 |
Molecular Formula: | C14H9NO2 |
Canonical SMILES: | C1=CC(=CC=C1C=O)OC2=CC=C(C=C2)C#N |
InChI: | InChI=1S/C14H9NO2/c15-9-11-1-5-13(6-2-11)17-14-7-3-12(10-16)4-8-14/h1-8,10H |
InChI Key: | PYODQZCRZBCXPW-UHFFFAOYSA-N |
Boiling Point: | 391.5 °C at 760 mmHg |
Density: | 1.24 g/cm3 |
Appearance: | White to yellow powder or ccrystals |
MDL: | MFCD08276813 |
LogP: | 3.16308 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-102114389-B1 | Novel sodium channel inhibitor compound, preparation method thereof, and pharmaceutical composition for prevention or treatment of sodium channel related diseases containing the same as an active ingredient | 20180502 |
KR-20190126525-A | Novel sodium channel inhibitor compound, preparation method thereof, and pharmaceutical composition for prevention or treatment of sodium channel related diseases containing the same as an active ingredient | 20180502 |
AU-2018290511-A1 | Dihydropyrimidine compounds and uses thereof in medicine | 20170626 |
EP-3658554-A1 | Dihydropyrimidine compounds and uses thereof in medicine | 20170626 |
KR-20200032098-A | Dihydropyrimidine compounds and their use in pharmaceuticals | 20170626 |
PMID | Publication Date | Title | Journal |
22220109 | 20111101 | 4-[4-(1H-Tetra-zol-5-yl)phen-oxy]benzaldehyde | Acta crystallographica. Section E, Structure reports online |
Complexity: | 291 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.063328530 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 50.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS