para-chloroacetophenone
4-chlorophenyl methyl ketone
Identification
| Name | para-chloroacetophenone |
| IUPAC | 1-(4-chlorophenyl)ethanone |
| CAS Number | 99-91-2 |
| EINECS | 202-800-7 |
| FDA UNII | ZV4A71K303 |
| Molecular Formula | C8 H7 Cl O |
| Molecular Weight | 154.59499000 |
| MDL Number | MFCD00000624 |
| Nikkaji Number | J38.176D |
| Beilstein | 0386014 |
| XlogP3 | 2.30 (est) |
Regulatory
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | 14.00 to 18.00 °C. @ 760.00 mm Hg |
| Boiling Point | 231.00 to 233.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.122000 mmHg |
| Flash Point | 194.00 °F. TCC ( 90.00 °C. ) |
| logP (o/w) | 2.350 |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 216 hour(s) at 100.00 % |
| Odor Description | at 100.00 %. |
| Odor sample from | Harrmann & Reimer Corporation |
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | intraperitoneal-mouse LD50 100 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | inhalation-human TCLo 1 mg/m3/1M |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | herbicides / pesticides |
| Recommendation for para-chloroacetophenone usage levels up to | not for fragrance use. |
| Recommendation for para-chloroacetophenone flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
acetophenone, 4-chloro-
acetophenone, 4'-chloro-
1-
acetyl-4-chlorobenzene
4-
acetylchlorobenzene
p-
acetylchlorobenzene
p-
chloracetophenone
1-(4-
chloro-phenyl)-ethanone
4-
chloroacetophenone
4'-
chloroacetophenone
p-
chloroacetophenone
4-
chlorophenyl methyl ketone
p-
chlorophenyl methyl ketone
1-(4-
chlorophenyl)-ethanone
1-(4-
chlorophenyl)ethan-1-one
1-(4-
chlorophenyl)ethanone
4-
chlorophenylacetone
1-(4-
chlorphenyl)ethanon
ethanone, 1-(4-chlorophenyl)-
methyl 4-chlorophenyl ketone
methyl p-chlorophenyl ketone
PubMed:
A Novel Carbonyl Reductase with Anti-Prelog Stereospecificity from Acetobacter sp. CCTCC M209061: Purification and Characterization.
PubMed:
Synthesis, Characterization, and Bioactivity of Schiff Bases and Their Cd(2+), Zn(2+), Cu(2+), and Ni(2+) Complexes Derived from Chloroacetophenone Isomers with S-Benzyldithiocarbazate and the X-Ray Crystal Structure of S-Benzyl- β -N-(4-chlorophenyl)methylenedithiocarbazate.
PubMed:
Synthesis of imine and reduced imine compounds containing aromatic sulfonamide: use as catalyst for in situ generation of ruthenium catalysts in transfer hydrogenation of acetophenone derivatives.
PubMed:
Halo-substituted thiosemicarbazones and their copper(II), nickel(II) complexes: detailed spectroscopic characterization and study of antitumour activity against HepG2 human hepatoblastoma cells.
PubMed:
Mechanism of ketone allylation with allylboronates as catalyzed by zinc compounds: a DFT study.
PubMed:
Immobilization of Acetobacter sp. CCTCC M209061 for efficient asymmetric reduction of ketones and biocatalyst recycling.
PubMed:
Synthesis, characterization, photophysical properties of a novel organic photoswitchable dyad in its pristine and hybrid nanocomposite forms.
PubMed:
Synthesis and anti-inflammatory evaluation of new substituted 1-(3-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole derivatives.
PubMed:
The rates of charge separation and energy destructive charge recombination processes within an organic dyad in presence of metal-semiconductor core shell nanocomposites.
PubMed:
Optimization of culture conditions to produce high yields of active Acetobacter sp. CCTCC M209061 cells for anti-Prelog reduction of prochiral ketones.
PubMed:
[Broader substrate specifity of Candida parapsilosis SCR II for catalyzing acetophenone derivatives by site-directed mutagenesis].
PubMed:
Development of a nanocomposite system by combining an organic dyad 1-(4-chloro-phenyl)-3-(4-methoxy-naphthalen-1-yl)-Propenone with semiconductor TiO2 nanoparticles.
PubMed:
Asymmetric reduction of prochiral ketones to chiral alcohols catalyzed by plants tissue.
PubMed:
A new facile approach to the synthesis of 3-methylthio-substituted furans, pyrroles, thiophenes, and related derivatives.
PubMed:
Precolumn derivatization of cysteine residues for quantitative analysis of five major cytochrome P450 isoenzymes by liquid chromatography/tandem mass spectrometry.
PubMed:
Perfect polar stacking of parallel beloamphiphile layers. Synthesis, structure and solid-state optical properties of the unsymmetrical acetophenone azine DCA.
PubMed:
[Preparation of chiral alcohol by stereoselective reduction of acetophenone and chloroacetophenone with yeast cells].
PubMed:
The methoxycarbonylation of aryl chlorides catalysed by palladium complexes of bis(di-tert-butylphosphinomethyl)benzene.
PubMed:
Bulky triarylarsines are effective ligands for palladium catalysed Heck olefination.
PubMed:
Oxime carbapalladacycle covalently anchored to high surface area inorganic supports or polymers as heterogeneous green catalysts for the Suzuki reaction in water.
PubMed:
Ab initio evaluation of intramolecular electron transfer reactions in halobenzenes and stabilized derivatives.
PubMed:
An oxime-carbapalladacycle complex covalently anchored to silica as an active and reusable heterogeneous catalyst for Suzuki cross-coupling in water.
PubMed:
4-chloroacetophenone
PubMed:
Microbial degradation of chlorinated acetophenones.
PubMed:
Novel biotransformations of 4-chlorobiphenyl by a Pseudomonas sp.
PubMed:
[Morphological findings in the rabbit cornea after tear gas cauterization (author's transl)].