para-chloroacetophenone

4-chlorophenyl methyl ketone

CAS: 99-91-2 C8 H7 Cl O MW: 154.59499000 floral

Identification

Namepara-chloroacetophenone
IUPAC1-(4-chlorophenyl)ethanone
CAS Number99-91-2
EINECS202-800-7
FDA UNIIZV4A71K303
Molecular FormulaC8 H7 Cl O
Molecular Weight154.59499000
MDL NumberMFCD00000624
Nikkaji NumberJ38.176D
Beilstein0386014
XlogP32.30 (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 SDSView
Oral/Parenteral Toxicityintraperitoneal-mouse LD50 100 mg/kg
Dermal ToxicityNot determined
Inhalation Toxicityinhalation-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

Categoryherbicides / pesticides
Recommendation for para-chloroacetophenone usage levels up tonot for fragrance use.
Recommendation for para-chloroacetophenone flavor usage levels up tonot for flavor use.

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Potential Uses

FR amber FR fern FR hawthorn FR hay new mown hay FR lilac FR mimosa FR wisteria

Natural Occurrence

not found in nature

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)].