4-(4-Chlorophenoxy)benzaldehyde - CAS 61343-99-5
Catalog: |
BB031062 |
Product Name: |
4-(4-Chlorophenoxy)benzaldehyde |
CAS: |
61343-99-5 |
Synonyms: |
4-(4-chlorophenoxy)benzaldehyde |
IUPAC Name: | 4-(4-chlorophenoxy)benzaldehyde |
Description: | 4-(4-Chlorophenoxy)benzaldehyde (CAS# 61343-99-5) is a useful research chemical. |
Molecular Weight: | 232.66 |
Molecular Formula: | C13H9ClO2 |
Canonical SMILES: | C1=CC(=CC=C1C=O)OC2=CC=C(C=C2)Cl |
InChI: | InChI=1S/C13H9ClO2/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-9H |
InChI Key: | BLCXBCYVCDPFEU-UHFFFAOYSA-N |
Boiling Point: | 181 °C / 2.5 mmHg |
Melting Point: | 54-58 °C |
Purity: | 95 % |
Density: | 1.266 g/cm3 |
Appearance: | Crystalline |
MDL: | MFCD01631895 |
LogP: | 3.94480 |
GHS Hazard Statement: | H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-202100526-A | Pyrrolopyrazole derivatives | 20190306 |
WO-2020179859-A1 | Pyrrolopyrazole derivative | 20190306 |
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 |
CN-110317200-A | Pyrimidine compound and application thereof | 20180328 |
PMID | Publication Date | Title | Journal |
22079026 | 20120101 | Novel 2-(2-(4-aryloxybenzylidene) hydrazinyl)benzothiazole derivatives as anti-tubercular agents | Bioorganic & medicinal chemistry letters |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.0291072 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.0291072 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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