2-Chloroacetophenone

HCID 10757CAS 532-27-4

基本情報

標準SMILES
O=C(CCl)c1ccccc1
InChIKey
IMACFCSSMIZSPP-UHFFFAOYSA-N
分子式
C8H7ClO
平均分子量
154.59 g/mol
単同位体質量
154.01854252

概要

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.

名称と識別子

優先名称
2-Chloroacetophenone
IUPAC
2-chloro-1-phenylethanone
現地名
フェナシルクロリド
英語名
2-Chloroacetophenone
分子式
C8H7ClO
分子量
154.59

名称と別名

2-CHLOROACETOPHENONE532-27-4Phenacyl chloride2-Chloro-1-phenylethanoneomega-ChloroacetophenoneCHLOROACETOPHENONEalpha-ChloroacetophenoneTear GasMace (lacrimator)Chloromethyl phenyl ketonePhenacylchlorideChemical mace
名称をさらに表示
フェナシルクロリドα-クロロアセトフェノン1-フェニル-2-クロロエタノンクロロメチルフェニルケトン(クロロアセチル)ベンゼン塩化フェナシルメイス【催涙剤】クロロアセチルベンゼン2-クロロ-1-フェニルエタノンω-クロロアセトフェノン2-クロロアセトフェンノンフェナシルクロライド2-クロロアセトフェノンオメガ‐クロロアセトフェノンΑ‐クロロアセトフェノンオメガ-クロロアセトフェノンphenacylA-CHLOROACETOPHENONEcn[qr]caf[qr]cap[qr]teargas
Acetophenone, 2-chloro-Ethanone, 2-chloro-1-phenyl-1-ChloroacetophenoneCN (lacrimator)Phenyl chloromethyl ketoneNCI-C55107PhenylchloromethylketoneChloracetophenone

データベース識別子

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

物性

構造計算による物性

XLogP
2.3
極性表面積
17.1 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
2
重原子数
10

実験および物理化学的性質

Chemical Classes · 3 件

Hazardous Air Pollutants (HAPs)

Toxic Gases & Vapors -> Tear Gas Agents

-> NIOSH Emergency Response Categories

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

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

Apple blossoms when dilutes; choking

Sharp, irritating odor

Density · 6 件

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

物理化学的性質

融点
54 · 54-56 °C(lit.)
沸点
244 · 244-245 °C(lit.)
比重(密度)
1.324 g/mL · 1.324 g/mL at 25 °C(lit.)
蒸気圧
4 at · 4 at 20 °C, 14 at 30 °C (quoted, Verschueren, 1983)
屈折率
1.5438 · 1.5438
闪点
118 °C · 118°C

化学的性質

化学的特性2-Chloroacetophenone (CN) is a combustible, colorless-to-gray solid. CN has a sharp, irritating odor, has been described as smelling like “apple blossoms.” It may be dissolved in a solvent

安全と法規制

GHS分類

GHS Classification · 6 件

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]

危険有害性情報

Regulatory Information · 4 件

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 件

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 件

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.

安全と保護具

Fire Fighting · 3 件

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 件

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 件

· 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 件

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 件

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

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

毒性情報

Target Organs · 2 件

Respiratory

Eyes, skin, respiratory system

Environmental Fate · 3 件

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 件

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 件

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 件

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]

法規制情報

TSCA Requirements · 2 件

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 件

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 件

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).

安全データ

F
9-19
OEB
C
OEL
TWA: 0.3 mg/m3 (0.05 ppm)
wgk
3
IDLA
15 mg/m3
tsca
TSCA listed

化学と産業

薬理情報

Mechanism of Action · 1 件

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 件

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.

用途と製造

Uses · 6 件

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 件

(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 件

From chloroacetylchloride, benzene, and aluminum chloride.

Prepared by chlorination of acetophenone with selenium oxychloride

Acetophenone (alpha chlorination)

Formulations/Preparations · 2 件

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 件

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

Chemical warfare agent with lacrimatory properties.

応用分野 · 7 件

解説2-chloro-1-phenylethanone.C8H7ClO(154.59).フェナシルクロリドは,アセトフェノンを光塩素化すると得られる.無色の結晶.融点58~59 ℃,沸点244~245 ℃.d15 1.324.エタノール,エーテル,ベンゼンに易溶.水に不溶.眼,のど,皮膚に強い刺激性のある催涙ガス.催涙弾の成分として化学兵器に用いられる.LD50 127 mg/kg(ラット,経口).TCL0(ヒト,2分間吸入)119 mg/m3.森北出版「化学辞典(第2版)

用途農薬,医薬等の中間体。催涙ガス

用途有機合成原料。

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

使用Riot control agent.

一般的な説明2-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.

使用用途2-クロロアセトフェノンは、強力な催涙作用があります。このため、防犯グッズや化学兵器の分野において、催涙スプレーや催涙弾の原材料として使用されています。主に暴動鎮圧を目的として、1918年米国で開発されました。今日でも世界各国の警察が暴徒鎮圧用として使用しており、日本の警察も保有しているとされています。その他には、農薬、医薬等の中間体としての用途もあります。 4'-クロロアセトフェノンも 医薬・染料中間体として活用されており、こちらは2-クロロ体に比べて刺激性、催涙性が少ないとされています。

調製方法

純化方法Crystallise it from MeOH [Tanner J Org Chem 52 2142 1987]. [Beilstein 7 IV 641.]

サプライヤー50 社

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]

補足説明

定義A strong lachrymator.

関連反応

217 件

関連ノート

読み込み中…