EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

2-chloroacetophenone
phenacylchloride

Supplier Sponsors

Name:2-chloro-1-phenylethanone
CAS Number: 532-27-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:208-531-1
FDA UNII: 88B5039IQG
Nikkaji Web:J2.629H
Beilstein Number:0507950
MDL:MFCD00000933
XlogP3:2.30 (est)
Molecular Weight:154.59499000
Formula:C8 H7 Cl O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:herbicides / pesticides
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:white crystalline solid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.32400 @ 25.00 °C.
Melting Point: 56.50 °C. @ 760.00 mm Hg
Boiling Point: 247.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.005400 mmHg @ 20.00 °C. (est)
Vapor Density:5.32 ( Air = 1 )
Flash Point: 221.00 °F. TCC ( 104.80 °C. ) (est)
logP (o/w): 1.724 (est)
Soluble in:
 alcohol
 water, 1635 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Charkit Chemical
CHLOROACETOPHENONE, 2-
Penta International
O-CHLOROACETOPHENONE (PRIME)
Penta International
O-CHLOROACETOPHENONE
Santa Cruz Biotechnology
For experimental / research use only.
2-Chloroacetophenone
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Chloroacetophenone 98%
sds
 
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-guinea pig LD50 17 mg/kg
LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: COMA SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Archives of Toxicology. Vol. 40, Pg. 75, 1978.

oral-guinea pig LD50 158 mg/kg
SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Archives of Toxicology. Vol. 40, Pg. 75, 1978.

intraperitoneal-mouse LD50 60 mg/kg
National Technical Information Service. Vol. AD837-111

intravenous-mouse LD50 81 mg/kg
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION KIDNEY, URETER, AND BLADDER: OTHER CHANGES BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Archives of Toxicology. Vol. 40, Pg. 75, 1978.

oral-mouse LD50 139 mg/kg
National Technical Information Service. Vol. AD837-111

intravenous-rabbit LD50 30 mg/kg
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD KIDNEY, URETER, AND BLADDER: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Archives of Toxicology. Vol. 40, Pg. 75, 1978.

oral-rabbit LD50 118 mg/kg
SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Archives of Toxicology. Vol. 40, Pg. 75, 1978.

intraperitoneal-rat LD50 36 mg/kg
BEHAVIORAL: COMA SKIN AND APPENDAGES (SKIN): HAIR: OTHER LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Archives of Toxicology. Vol. 40, Pg. 75, 1978.

intravenous-rat LD50 41 mg/kg
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION KIDNEY, URETER, AND BLADDER: OTHER CHANGES BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Archives of Toxicology. Vol. 40, Pg. 75, 1978.

oral-rat LD50 50 mg/kg
Toxicology and Applied Pharmacology. Vol. 17, Pg. 295, 1970.

Dermal Toxicity:
skin-guinea pig LD50 > 1000 mg/kg
National Technical Information Service. Vol. OTS0556684

Inhalation Toxicity:
inhalation-guinea pig LCLo 490 mg/m3/30M
LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BLOOD: HEMORRHAGE
Archives of Toxicology. Vol. 40, Pg. 75, 1978.

inhalation-human LCLo 159 mg/m3/20M
"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 163, 1969.

inhalation-human TCLo 20 mg/m3
LUNGS, THORAX, OR RESPIRATION: COUGH SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA
British Journal of Industrial Medicine. Vol. 29, Pg. 298, 1972.

inhalation-human TCLo 93 mg/m3/3M
LUNGS, THORAX, OR RESPIRATION: DYSPNEA SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
American Industrial Hygiene Association Journal. Vol. 23, Pg. 199, 1962.

inhalation-mouse LC50 59 mg/m3
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 58(10), Pg. 4, 1993.

inhalation-rabbit LCLo 465 mg/m3/20M
LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BLOOD: HEMORRHAGE
Archives of Toxicology. Vol. 40, Pg. 75, 1978.

inhalation-rat LCLo 417 mg/m3/15M
SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA BLOOD: HEMORRHAGE
Archives of Toxicology. Vol. 40, Pg. 75, 1978.
 
Safety in Use Information:
Category:
herbicides / pesticides
Recommendation for 2-chloroacetophenone usage levels up to:
 not for fragrance use.
 
Recommendation for 2-chloroacetophenone flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA-Iris:IRIS
NIOSH International Chemical Safety Cards:search
NIOSH Pocket Guide:search
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
Carcinogenic Potency Database:Search
EPA Substance Registry Services (TSCA):532-27-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :10757
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-chloro-1-phenylethanone
Chemidplus:0000532274
EPA/NOAA CAMEO:hazardous materials
RTECS:532-27-4
 
References:
 2-chloro-1-phenylethanone
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):10757
Pubchem (sid):134976675
Pherobase:View
 
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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2914.70.2000
ChemSpider:View
Wikipedia:View
Formulations/Preparations:
•chemical mace consists of a potent lacrimator, chloroacetophenone (0.9-1.2%) dissolved in a mixture of trichlorotrifluoroethane (70-80%), 1,1,1-trichloroethane (5%), & hydrocarbons resembling kerosene (approx 4%). •93% purity grade
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 agent CNB
 agent CNC
 CAF
 CaP
(2-chloro-1-oxoethyl)benzene
2-chloro-1-phenyl-ethanone
2-chloro-1-phenylethan-1-one
2-chloro-1-phenylethanone
2-chloroacetonephenone
 chloromethyl phenyl ketone
 ethanone, 2-chloro-1-phenyl-
 phenacyl chloride
 phenacylchloride
 

Articles:

PubMed:Riot control agents: the tear gases CN, CS and OC--a medical review.
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:Analysis of trace amount of bank dye and lachrymators from exploding bank devices by solid-phase microextraction and gas chromatography-mass spectrometry.
PubMed:[Preparation of chiral alcohol by stereoselective reduction of acetophenone and chloroacetophenone with yeast cells].
PubMed:[Saccharomyces cerevisiae B5 efficiently and stereoselectively reduces 2'-chloroacetophenone to R-2'-chloro-1-phenylethanol in the presence of 5% ethanol].
PubMed:Diversity of contaminant reduction reactions by zerovalent iron: role of the reductate.
PubMed:An evaluation of the relative potential public health concern for the self-defense spray active ingredients oleoresin capsicum, o-chlorobenzylidene malononitrile, and 2-chloroacetophenone.
PubMed:Synthesis and hypnotic activities of 4-thio analogues of N3-substituted uridines.
PubMed:Catalytic Meerwein-Pondorf-Verley reduction by simple aluminum complexes.
PubMed:Regulated workplace ketones and their interference in the PFBHA method for aldehydes.
PubMed:2-Chloroacetophenone is an effective glutathione depletor in isolated rat hepatocytes.
PubMed:NTP Toxicology and Carcinogenesis Studies of 2-Chloroacetophenone (CAS No. 532-27-4) in F344/N Rats and B6C3F1 Mice (Inhalation Studies).
PubMed:Examination of mouse exorbital lacrimal gland after exposure to 2-chloroacetophenone vapor.
PubMed:[Contact dermatitis caused by 2-chloroacetophenone following tear gas exposure].
PubMed:Spectral differentiation and gas chromatographic/mass spectrometric analysis of the lacrimators 2-chloroacetophenone and o-chlorobenzylidene malononitrile.
PubMed:Inhibition of aldehyde dehydrogenase by 2-chloroacetophenone and the resultant effects on the catabolism of norepinephrine in brain.
 
Notes:
a potent eye, throat, and skin irritant. one of its uses is as a riot control agent.
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