2-Chloroacetophenone

HCID 10757

Basic information

CAS
532-27-4
Standard SMILES
O=C(CCl)c1ccccc1
InChIKey
IMACFCSSMIZSPP-UHFFFAOYSA-N
Molecular formula
C8H7ClO
Average molar mass
154.59 g/mol
Monoisotopic mass
154.01854252

Overview

2-chloroacetophenone appears as a riot control agent and chemical warfare tear gas agent. A white crystalline solid. Denser than water and insoluble in water. Hence sinks in water. A lachrymator: vapors are very irritating to the eyes. Has a floral odor.

Names & identifiers

Preferred name
2-Chloroacetophenone
IUPAC
2-chloro-1-phenylethanone
English name
2-Chloroacetophenone
Molecular formula
C8H7ClO
Molecular weight
154.59

Names & synonyms

2-CHLOROACETOPHENONE532-27-4Phenacyl chloride2-Chloro-1-phenylethanoneomega-ChloroacetophenoneCHLOROACETOPHENONEalpha-ChloroacetophenoneTear GasMace (lacrimator)Chloromethyl phenyl ketonePhenacylchlorideChemical mace
Show more names
phenacylA-CHLOROACETOPHENONEcn[qr]caf[qr]cap[qr]teargas
Acetophenone, 2-chloro-Ethanone, 2-chloro-1-phenyl-1-ChloroacetophenoneCN (lacrimator)Phenyl chloromethyl ketoneNCI-C55107PhenylchloromethylketoneChloracetophenone

Database identifiers

CAS
532-27-4、8007-12-3
PubChem CID
10757
DTXSID
DTXSID9020293
ChEMBL
CHEMBL105712
UNII
88B5039IQG
EC Number
208-531-1
Nikkaji
J2.629H

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
10

Experimental & physicochemical properties

Chemical Classes · 3 items

Hazardous Air Pollutants (HAPs)

Toxic Gases & Vapors -> Tear Gas Agents

-> NIOSH Emergency Response Categories

SpringerMaterials PropertiesBoiling point
PesticidesPesticide -> EPA IRIS
LogP2.08
Odor · 3 items

IN VERY LOW CONCN IN AIR IT HAS AN ODOR RESEMBLING APPLE BLOSSOMS

Apple blossoms when dilutes; choking

Sharp, irritating odor

Density · 6 items

1.32 at 59 °F (USCG, 1999) - Denser than water; will sink

1.324 g/cu cm at 15 °C

Solid density at 20 °C = 1.318 g/cc; liquid density at 58 °C = 1.187 g/cc

1.3 g/cm³

Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.0

1.32

Physicochemical properties

Melting point
54 · 54-56 °C(lit.)
Boiling point
244 · 244-245 °C(lit.)
Density
1.324 g/mL · 1.324 g/mL at 25 °C(lit.)
vapor pressure
4 at · 4 at 20 °C, 14 at 30 °C (quoted, Verschueren, 1983)
refractive index
1.5438 · 1.5438
Flash point
118 °C · 118°C

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]

P233, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P342+P316, P361+P364, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H301: Toxic if swallowed [Danger Acute toxicity, oral]

Hazard information

Regulatory Information · 4 items

Chemical: Ethanone, 2-chloro-1-phenyl-

Hazard Traits - Dermatotoxicity; Ocular Toxicity; Respiratory Toxicity

2-Chloroacetophenone: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Other Safety Information- Indoor Air: Chloroacetophenone (CN) can be released into indoor air as fine particulate smoke, vapor, or liquid spray (aerosol).
DOT LabelPoison
Fire Hazards · 4 items

For information on chemical warfare tear gas agents see the ERG Criminal or Terrorist Use of CBR Agents. (ERG, 2024)

· Combustible material: may burn but does not ignite readily.

· Combustible material: may burn but does not ignite readily.

Combustible. Gives off irritating or toxic fumes (or gases) in a fire.

Fire PotentialCombustible.
Health Hazards · 3 items

For information on chemical warfare tear gas agents see the ERG Criminal or Terrorist Use of CBR Agents. (ERG, 2024)

· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.

· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.

Safety & protection

Fire Fighting · 3 items

For information on chemical warfare tear gas agents see the ERG Criminal or Terrorist Use of CBR Agents. (ERG, 2024)

Use water spray, powder, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

- Chloroacetophenone (CN) is combustible.

First Aid Measures · 4 items

Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer for medical attention.

Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention .

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Give one or two glasses of water to drink. Give a slurry of activated charcoal in water to drink. Refer for medical attention . Rest.

Accidental Release Measures · 4 items

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 4 items

For information on chemical warfare tear gas agents see the ERG Criminal or Terrorist Use of CBR Agents. (ERG, 2024)

General First Aid:

General First Aid:

(General first aid procedures)

Safe StorageSeparated from food and feedstuffs. Keep in a well-ventilated room.
Exposure Control and Personal Protection · 2 items

· Wear positive pressure self-contained breathing apparatus (SCBA).

· Wear positive pressure self-contained breathing apparatus (SCBA).

Toxicology

Target Organs · 2 items

Respiratory

Eyes, skin, respiratory system

Environmental Fate · 3 items

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 100(SRC), determined from a structure estimation method(2), indicates that 2-chloroacetophenone is expected to have high mobility in soil(SRC). Volatilization of 2-chloroacetophenone from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 3.5X10-6 atm-cu m/mole(SRC), using a fragment constant estimation method(3). 2-Chloroacetophenone is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 5.4X10-3 mm Hg at 20 °C(4). 2-Chloroacetophenone is expected to degrade based on limited reduction data studied in anaerobic sediments(5).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 100(SRC), determined from a structure estimation method(2), indicates that 2-chloroacetophenone is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 3.5X10-6 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 14 and 105, respectively(SRC). According to a classification scheme(5), an estimated BCF of 2(SRC), from an estimated log Kow of 1.93(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). 2-Chloroacetophenone is expected to undergo hydrolysis in the environment very slowly with hydrolysis products of hydrochloric acid and hydroacetophenone(8). 2-Chloroacetophenone is expected to degrade based on limited reduction data studied in anaerobic sediments(9).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2-chloroacetophenone, which has a vapor pressure of 5.4X10-3 mm Hg at 20 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 2-chloroacetophenone is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 7 days(SRC), calculated from its rate constant of 2.0X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). 2-Chloroacetophenone contains chromophores that absorb at wavelengths >290 nm (291 and 329 nm)(4) and, therefore, may be susceptible to direct photolysis by sunlight(SRC).

Adverse EffectsLacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.
Exposure Routes · 3 items

The substance can be absorbed into the body by inhalation and by ingestion.

inhalation, ingestion, skin and/or eye contact

Chloroacetophenone (CN) can be absorbed by ingestion and inhalation. It may cause localized irritation of the gastrointestinal tract, respiratory tract, and upon contact with the skin or eyes.

Signs and Symptoms · 6 items

Burning sensation. Cough. Sore throat. Nausea. Shortness of breath.

Redness. Pain.

Redness. Pain. Blurred vision. Partial loss of vision.

Burning sensation.

irritation eyes, skin, respiratory system; pulmonary edema

- Threshold concentrations: Immediate burning pain, spasmodic blinking (blepharospasm), tear production (lacrimation), eye redness, runny nose (rhinorrhea), coughing, sneezing, and pain, but usually no long term tissue damage.

Ongoing Test Status · 1 item

The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical.[Available from, as of August 23, 2013: http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=532-27-4]

Regulatory information

TSCA Requirements · 2 items

Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, exposure, and use to EPA as cited in the preamble in 51 FR 41329. Effective date: 1/26/94; Reporting date: 3/28/94.

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 2-Chloroacetophenone is included on this list. Effective date: 1/26/94; Sunset date: 6/30/98.

Atmospheric Standards · 1 item

Listed as a hazardous air pollutant (HAP) generally known or suspected to cause serious health problems. The Clean Air Act, as amended in 1990, directs EPA to set standards requiring major sources to sharply reduce routine emissions of toxic pollutants. EPA is required to establish and phase in specific performance based standards for all air emission sources that emit one or more of the listed pollutants. 2-Chloroacetophenone is included on this list.

CERCLA Reportable Quantities · 1 item

Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 100 lb or 45.4 kg. The toll free number of the NRC is (800) 424-8802. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV. D.3.b).

Safety data

F
9-19
OEB
C
OEL
TWA: 0.3 mg/m3 (0.05 ppm)
PPE
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
wgk
3
IDLA
15 mg/m3

Chemistry & industry

Pharmacology

Mechanism of Action · 1 item

2-Chloroacetophenone toxicity may be due to the alkylation and consequent inhibition of sulfhydryl-containing enzymes because inhibition of lactate dehydrogenase activity by 2-chloroacetophenone in vitro was not reversed by glutathione and because intravenous administration of sodium thiosulfate did not protect rats from lethal doses of 2-chloroacetophenone given by intraperitoneal injection.

MeSH Pharmacological Classification · 2 items

Drugs that act locally on cutaneous or mucosal surfaces to produce inflammation; those that cause redness due to hyperemia are rubefacients; those that raise blisters are vesicants and those that penetrate sebaceous glands and cause abscesses are pustulants; tear gases and mustard gases are also irritants.

Gases that irritate the eyes, throat, or skin. Severe lacrimation develops upon irritation of the eyes.

Uses & manufacturing

Uses · 6 items

2-Chloroacetophenone is primarily used as a riot-control agent (tear gas) and in Chemical Mace. It is also used as a pharmaceutical intermediate and formerly as an alcohol denaturant.

A lacrimator (tear gas) agent; [ACGIH]

For 2-chloroacetophenone (USEPA/OPP PC Code: 018001) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./

... Alcohol denaturant (former use)

Pharmaceutical intermediate; riot control gas

Obsolete in military use, common in police agency mixtures of tear gas; principal ingredient in the riot agent under the tradename MACE /whose tradename is derived from the first letters of/ Methylchloroform chloro ACEtophenone

U.S. Imports · 2 items

(1977) AT LEAST 4.99X10+6 G

(1981) 4.50X10+5 G (PRINCPL CUSTMS DISTS)

U.S. ProductionProduction volumes for non-confidential chemicals reported under the Inventory Update Rule.[Table#2614]
Methods of Manufacturing · 3 items

From chloroacetylchloride, benzene, and aluminum chloride.

Prepared by chlorination of acetophenone with selenium oxychloride

Acetophenone (alpha chlorination)

Formulations/Preparations · 2 items

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%), and hydrocarbons resembling kerosene (approx 4%).

93% Purity grade

General Manufacturing Information · 2 items

Ethanone, 2-chloro-1-phenyl-: ACTIVE

Chemical warfare agent with lacrimatory properties.

Applications · 5 items

DescriptionChloroacetophenone is contained in tear gases (lacrimators). This substance has an important irritative potential but can also be a sensitizer.

Uses2-Chloroacetophenone is used as a nonlethal or less-than-lethal chemical in riot control situations to distract, deter, incapacitate, disorient, or disable disorderly people; to clear facilities or areas; to deny areas; or for hostage rescue. It can also be used in peacekeeping operations. It is also used in military training as a confidence builder for the protective mask.

UsesRiot control agent.

UsesChemical warfare agent (CN); principal constituent in riot control agent Mace; in tear gas formulations for personal protection devices

General Description2-chloroacetophenone appears as a white crystalline solid. Denser than water and insoluble in water. Hence sinks in water. A lachrymator: vapors are very irritating to the eyes. Has a floral odor. Used as a riot control agent.

Suppliers100 total

邹平创新药业有限公司13561560789 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
山东前元高分子材料有限公司18678041314 18765609661 · [email protected]

Additional notes

DefinitionA strong lachrymator.

Related reactions

217 records

Compound notes

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