4-Chlorochalcone - CAS 956-04-7
Catalog: |
BB041774 |
Product Name: |
4-Chlorochalcone |
CAS: |
956-04-7 |
Synonyms: |
(E)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one |
IUPAC Name: | (E)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one |
Description: | 4-Chlorochalcone (CAS# 956-04-7 ) is a useful research chemical. |
Molecular Weight: | 242.70 |
Molecular Formula: | C15H11ClO |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)Cl |
InChI: | InChI=1S/C15H11ClO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H/b11-8+ |
InChI Key: | ABGIIXRNMHUKII-DHZHZOJOSA-N |
Boiling Point: | 381.9 °C at 760 mmHg |
Melting Point: | 113-117 °C |
Purity: | 95 % |
Density: | 1.202 g/cm3 |
Appearance: | Crystalline powder |
MDL: | MFCD00016345 |
LogP: | 4.23610 |
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-109851540-B | Application of aryloxy functionalized prolinol chiral ligand as catalyst | 20190318 |
TW-202003433-A | Method for manufacturing fluoromethyl derivatives | 20180511 |
WO-2019216415-A1 | Production method for fluoromethyl derivative | 20180511 |
EP-3792240-A1 | Production method for fluoromethyl derivative | 20180511 |
US-2021206740-A1 | Production method for fluoromethyl derivative | 20180511 |
PMID | Publication Date | Title | Journal |
22658085 | 20120801 | Synthesis and in vitro evaluation of novel tetrazole embedded 1,3,5-trisubstituted pyrazoline derivatives as Entamoeba histolytica growth inhibitors | European journal of medicinal chemistry |
20639112 | 20100715 | Identification of chalcones as in vivo liver monofunctional phase II enzymes inducers | Bioorganic & medicinal chemistry |
17383189 | 20070515 | Synthetic chalcones, flavanones, and flavones as antitumoral agents: biological evaluation and structure-activity relationships | Bioorganic & medicinal chemistry |
17007965 | 20070101 | Study on the substituents' effects of a series of synthetic chalcones against the yeast Candida albicans | European journal of medicinal chemistry |
Complexity: | 271 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 242.0498427 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.0498427 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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