532-27-4 structure, C8H7ClO
2-Chloroacetophenone
CAS No.: 532-27-4 Formula: C8H7ClO Molecular Weight: 154.59400
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2-Chloroacetophenone

CAS No.:

532-27-4

Formula:

C8H7ClO

Molecular Weight: 154.59400
Suppliers: All (39) China Suppliers (39) Price Available (2) Contractor (5)

Description

Phenacyl chloride is a substituted acetophenone. It is a useful building block in organic chemistry. Apart from that, it has been historically used as a riot control agent, where it is designated CN. It should not be confused with cyanide, another agent used in chemical warfare, which has the chemical structure CN−.

Basic Info

Chemical Name

2-Chloroacetophenone

Synonyms

(2-Chloro-1-oxoethyl)benzene; Ethanone, 2-chloro-1-phenyl-; 1-Phenyl-2-chloro-1-ethanone; (Chloroacetyl)benzene;

CAS No.

532-27-4

Molecular Formula

C8H7ClO

Molecular Weight

154.59400

PSA

17.07000

LogP

2.10810

Numbering system

EINECS number 208-531-1
MDL number MFCD00000933

Properties

Appearance & Physical State

White to light yellow crystalline powder

Density

1.188

Boiling Point

244-245ºC

Melting Point

52-56ºC

Flash Point

118ºC

Refractive Index

1.5438

Water Solubility

insoluble.

Stability

May decompose upon exposure to air or water. Incompatible with bases, amines, alcohols.

Storage Condition

Store in a cool, dry, well-ventilated area away from incompatible substances. Do not store in metal containers. Keep containers tightly closed. Store protected from moisture.

Safety Info

RTECS

AM6300000

Hazard Class

6.1

Safety Statements

S26-S28-S36/37/39-S45

HS Code

2914700090

WGK Germany

3

Packing Group

II

RIDADR

UN 1697

Risk Statements

R23/25; R36/37/38

Hazard Codes

T

SDS 1.0

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SDS 1.0

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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Chloroacetophenone

1.2 Other means of identification

Product number -
Other names (2-Chloro-1-oxoethyl)benzene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. 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.
Uses advised against no data available

1.4 Supplier's details

Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
Xuhui District, Shanghai, China
Telephone +86(21)64956998
Fax +86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-400-6021-666
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 2

Acute toxicity - Dermal, Category 3

Skin irritation, Category 2

Serious eye damage, Category 1

Acute toxicity - Inhalation, Category 3

Respiratory sensitization, Category 1

Specific target organ toxicity – single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H300 Fatal if swallowed

H311 Toxic in contact with skin

H315 Causes skin irritation

H318 Causes serious eye damage

H331 Toxic if inhaled

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P284 [In case of inadequate ventilation] wear respiratory protection.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/…

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/…if you feel unwell.

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/…

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P311 Call a POISON CENTER/doctor/…

P342+P311 If experiencing respiratory symptoms: Call a POISON CENTER/doctor/...

Storage

P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
2-Chloroacetophenone 2-Chloroacetophenone 532-27-4 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

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

In case of skin contact

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

In case of eye contact

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

If swallowed

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.

4.2 Most important symptoms/effects, acute and delayed

Inhalation causes tearing, burning of the eyes and difficulty in breathing; high concentrations may lead to development of acute pulmonary edema after latencies of 8 hrs. to several days; possible systemic manifestations include agitation, coma, contraction of pupils of eyes, loss of reflexes. External contact causes irritation of skin and intense irritation of eyes. Ingestion causes agitation, coma, contraction of pupils of eye, loss of reflexes. (USCG, 1999)

4.3 Indication of immediate medical attention and special treatment needed, if necessary

Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Ketones and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Use water spray, powder, foam, carbon dioxide.

5.2 Specific hazards arising from the chemical

Special Hazards of Combustion Products: Irritating hydrogen chloride may form. Behavior in Fire: Unburned material may become volatile and cause severe eye irritation. (USCG, 1999)

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Personal protection: self-contained breathing apparatus. Sweep spilled substance into covered sealable, plastic containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations.

6.3 Methods and materials for containment and cleaning up

Personal protection: self-contained breathing apparatus. Sweep spilled substance into covered sealable, plastic containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Separated from food and feedstuffs. Keep in a well-ventilated room.Separated from food and feedstuffs. Keep in a well-ventilated room.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 10 Hour Time-Weighted Average: 0.3 mg/cu m (0.05 ppm).

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state White to light yellow crystalline powder
Colour Crystals from dilute alcohol, carbon tetrachloride, or light petroleum
Odour IN VERY LOW CONCN IN AIR IT HAS AN ODOR RESEMBLING APPLE BLOSSOMS
Melting point/ freezing point 52-56ºC
Boiling point or initial boiling point and boiling range 244-245ºC
Flammability Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
Lower and upper explosion limit / flammability limit no data available
Flash point 118ºC
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility In water:insoluble.
Partition coefficient n-octanol/water (log value) log Kow = 1.93 (est)
Vapour pressure 0.0054 mm Hg at 20°C
Density and/or relative density 1.188
Relative vapour density 5.2 (Relative to Air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

Combustible.Vapors may be heavier than air. They will spread along the ground and collect and stay in poorly-ventilated, low-lying, or confined areas (e.g., sewers, basements, and tanks).Hazardous concentrations may develop quickly in enclosed, poorly-ventilated, or low-lying areas. Keep out of these areas. Stay upwind.2-CHLOROACETOPHENONE reacts slowly with metals causing mild corrosion.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Water, steam, strong oxidizers [Note: Slowly corrodes metals].

10.6 Hazardous decomposition products

When heated to decomposition it emits toxic fumes of /hydrogen chloride/.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 127 mg/kg
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

A4: Not classifiable as a human carcinogen.

Reproductive toxicity

No information is available on the reproductive or developmental effects of 2-chloroacetophenone in humans or animals.

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

ANAEROBIC: 2-Chloroacetophenone was reductively transformed in anaerobic sediments via electron transfer to form acetophenone and via hydride transfer to form 2-chloro-1-phenylethanol(1). An increase in temperature decreases the rate of degradation(1).

12.3 Bioaccumulative potential

An estimated BCF of 2 was calculated in fish for 2-chloroacetophenone(SRC), using an estimated log Kow of 1.93(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indices(1), the Koc of 2-chloroacetophenone can be estimated to be 100(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2-chloroacetophenone is expected to have high mobility in soil.

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN1697 IMDG: UN1697 IATA: UN1697

14.2 UN Proper Shipping Name

ADR/RID: CHLOROACETOPHENONE, SOLID
IMDG: CHLOROACETOPHENONE, SOLID
IATA: CHLOROACETOPHENONE, SOLID

14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

14.4 Packing group, if applicable

ADR/RID: II IMDG: II IATA: II

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
2-Chloroacetophenone 2-Chloroacetophenone 532-27-4 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 16, 2017
Revision Date Aug 16, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.

MSDS

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NMR Spectrum 1H NMR : Predict

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532-27-4 NMR spectrum
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GC Analysis

Total 13 Documents >>
Column type Active phase Temperature (°C) Retention Index (I) Temperature Control Method
Capillary Methyl Silicone 100. 1231. isothermal
Capillary Methyl Silicone 120. 1241. isothermal
Capillary PEG-20M 160. 2101. isothermal
Capillary PEG-20M 180. 2113. isothermal
Capillary PEG-20M 130. 2083.4 isothermal
Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
Administration onto the skin Open irritation test Rodent - rat 12%/6H -
Administration onto the skin Standard Draize test Rodent - rabbit 5 mg/24H -
Administration onto the skin Open irritation test Rodent - rabbit 12%/6H -
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