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para-chloroacetophenone

Chemical Structure

General Material Information

Preferred name para-chloroacetophenone
Trivial Name p-Chloroacetophenone
Short Description 4-chlorophenyl methyl ketone
Formula C8 H7 Cl O
CAS Number 99-91-2
ECHA Number 202-800-7
FDA UNII ZV4A71K303
Nikkaji Number J38.176D
Beilstein Number 0386014
MDL MFCD00000624
Bio Activity Summary External link
NMR Predictor External link
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
  • 1-(4-chlorophenyl)ethanone
  • Acetophenone, 4′-chloro-
  • Acetophenone, p-chloro-
  • p-Chloroacetophenone
  • 4′-Chloroacetophenone
  • p-Chlorophenyl methyl ketone
  • 1-Acetyl-4-chlorobenzene
  • 4-Chlorophenyl methyl ketone
  • 4-Acetylchlorobenzene
  • p-Acetylchlorobenzene
  • 1-(4-Chlorophenyl)-1-ethanone
  • 1-Chloro-4-acetylbenzene
  • 4-Acetyl-1-chlorobenzene
  • NSC 6115
  • 1-(p-Chlorophenyl)ethanone
  • 4-Acetylphenyl chloride
  • p-Chlorohypnone
  • 4-Chlorohypnone
  • 4-Chloro-1-acetylbenzene
  • 4-Chlorobenzene methyl ketone

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Literature & References

1-(4-chlorophenyl)ethanone
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:99-91-2
Pubchem (cid):7467
Pubchem (sid):134972214
Pherobase:View
Publications by PubMed
A Novel Carbonyl Reductase with Anti-Prelog Stereospecificity from Acetobacter sp. CCTCC M209061: Purification and Characterization.
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.
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.
Halo-substituted thiosemicarbazones and their copper(II), nickel(II) complexes: detailed spectroscopic characterization and study of antitumour activity against HepG2 human hepatoblastoma cells.
Mechanism of ketone allylation with allylboronates as catalyzed by zinc compounds: a DFT study.
Immobilization of Acetobacter sp. CCTCC M209061 for efficient asymmetric reduction of ketones and biocatalyst recycling.
Synthesis, characterization, photophysical properties of a novel organic photoswitchable dyad in its pristine and hybrid nanocomposite forms.
Synthesis and anti-inflammatory evaluation of new substituted 1-(3-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole derivatives.
The rates of charge separation and energy destructive charge recombination processes within an organic dyad in presence of metal-semiconductor core shell nanocomposites.
Optimization of culture conditions to produce high yields of active Acetobacter sp. CCTCC M209061 cells for anti-Prelog reduction of prochiral ketones.
[Broader substrate specifity of Candida parapsilosis SCR II for catalyzing acetophenone derivatives by site-directed mutagenesis].
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.
Asymmetric reduction of prochiral ketones to chiral alcohols catalyzed by plants tissue.
A new facile approach to the synthesis of 3-methylthio-substituted furans, pyrroles, thiophenes, and related derivatives.
Precolumn derivatization of cysteine residues for quantitative analysis of five major cytochrome P450 isoenzymes by liquid chromatography/tandem mass spectrometry.
Perfect polar stacking of parallel beloamphiphile layers. Synthesis, structure and solid-state optical properties of the unsymmetrical acetophenone azine DCA.
[Preparation of chiral alcohol by stereoselective reduction of acetophenone and chloroacetophenone with yeast cells].
The methoxycarbonylation of aryl chlorides catalysed by palladium complexes of bis(di-tert-butylphosphinomethyl)benzene.
Bulky triarylarsines are effective ligands for palladium catalysed Heck olefination.
Oxime carbapalladacycle covalently anchored to high surface area inorganic supports or polymers as heterogeneous green catalysts for the Suzuki reaction in water.
Ab initio evaluation of intramolecular electron transfer reactions in halobenzenes and stabilized derivatives.
An oxime-carbapalladacycle complex covalently anchored to silica as an active and reusable heterogeneous catalyst for Suzuki cross-coupling in water.
4-chloroacetophenone
Microbial degradation of chlorinated acetophenones.
Novel biotransformations of 4-chlorobiphenyl by a Pseudomonas sp.
[Morphological findings in the rabbit cornea after tear gas cauterization (author's transl)].

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
Metabolomics Database:Search
UM BBD:Search
KEGG (GenomeNet):C06647
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2914.70.4000
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 154.59498596191
Melting Point 14 to 18°C @ 760 mm Hg
Boiling Point 231 to 233°C @ 760 mm Hg
Flash Point TCC Value 90 °C TCC
logP (o/w) 2.35
Solubility
alcohol Yes
water, 755.9 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
sweet, hawthorn, hay, floral
Odor strength medium
Substantivity 216 hour(s) at 100.00 %
Luebke, William tgsc, (1986) At 100.00 %. sweet mild acetophenone hay

Potential Uses

Applications
Odor purposes Amber , Fern , Hawthorn , Hay new mown hay , Lilac , Mimosa , Wisteria

Safety Information

Safety information

Preferred SDS: View
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
intraperitoneal-mouse LD50 100 mg/kg
National Technical Information Service. Vol. AD277-689

oral-mouse LD50 1207 mg/kg
PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Pharmazie. Vol. 31, Pg. 317, 1976.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
inhalation-human TCLo 1 mg/m3/1M
SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
"Manual of Pharmacology and Its Applications to Therapeutics and Toxicology," 8th ed., Sollman, T., Philadelphia, W.B. Saunders Co., 1957Vol. 8, Pg. 192, 1957.

inhalation-mouse LC50 1752 mg/m3/15M
JAT, Journal of Applied Toxicology. Vol. 14, Pg. 411, 1994.

Safety in use information

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.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):99-91-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7467
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
1-(4-chlorophenyl)ethanone
Chemidplus:0000099912
RTECS:KM5600000 for cas# 99-91-2