75-87-6 structure, C2HCl3O

trichloroacetaldehyde

CAS No.

75-87-6

Formula:

C2HCl3O

Basic Info

Formula
C2HCl3O
Molecular Weight
147.388
Exact Mass
145.909
LogP
1.5555
PSA
17.07
Synonyms

Acetaldehyde, trichloro-

Trichloroacetaldehyde

Acetaldehyde,trichloro

Anhydrous chloral

Grasex

Trichloroethanal

CHLORAL

Anhydr Chloral

2,2,2-trichloroethoxide

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Properties

Appearance & Physical State
colourless oily liquid with a pungent odour(odour recognition threshold 47 ppb)
Density
1.5121
Boiling Point
97.8ºC
Melting Point
-57.5ºC
Flash Point
75ºC
Refractive Index
1.5121
Water Solubility
Soluble
Stability
Stable. Flammable. Incompatible with strong oxidizing agents.
Storage Condition
2-8ºC

Safety Info

RTECS
FM7870000
Safety Statements
S26-S28-S36/37/39-S45
WGK Germany
3
Risk Statements
R22; R26; R36/37/38
HS Code
2913000010
RIDADR
UN 2075
Hazard Class
6.1(a)
Packing Group
II
Hazard Codes

MSDS

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 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name trichloroacetaldehyde

1.2 Other means of identification

Product number -
Other names Anhydrous chloral

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
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 3

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity – single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H315 Causes skin irritation

H319 Causes serious eye irritation

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.

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/...

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.

P337+P313 If eye irritation persists: Get medical advice/attention.

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

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

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
trichloroacetaldehyde trichloroacetaldehyde 75-87-6 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

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Wash off with soap and plenty of water. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

no data available

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

no data available

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

5.2 Specific hazards arising from the chemical

no data available

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

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

6.3 Methods and materials for containment and cleaning up

Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

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

Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

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 colourless oily liquid with a pungent odour(odour recognition threshold 47 ppb)
Colour no data available
Odour no data available
Melting point/ freezing point -57.5ºC
Boiling point or initial boiling point and boiling range 97.8ºC
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 75ºC
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility In water:Soluble
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure no data available
Density and/or relative density 1.5121
Relative vapour density no data available
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

no data available

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

no data available

11.Toxicological information

Acute toxicity

  • Oral: no data available
  • 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

no data available

Reproductive toxicity

no data available

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

no data available

12.3 Bioaccumulative potential

no data available

12.4 Mobility in soil

no data available

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: UN2075 IMDG: UN2075 IATA: UN2075

14.2 UN Proper Shipping Name

ADR/RID: CHLORAL, ANHYDROUS, STABILIZED
IMDG: CHLORAL, ANHYDROUS, STABILIZED
IATA: CHLORAL, ANHYDROUS, STABILIZED

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
trichloroacetaldehyde trichloroacetaldehyde 75-87-6 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) Not 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 17, 2017
Revision Date Aug 17, 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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  Chloral      Revision number: 5    
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        Chloral    
    
  Revision number:        5    

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS
    Category 4
  Flammable liquids
  HEALTH HAZARDS
    Category 4
  Acute toxicity (Oral)
  Acute toxicity (Dermal)        Category 4    
    Category 1
  Acute toxicity (Inhalation)
  Skin corrosion/irritation        Category 1B    
    Category 1
  Serious eye damage/eye irritation
  Germ cell mutagenicity        Category 1B    
    Category 2
  Reproductive toxicity
  Specific target organ toxicity        Respiratory system    
  - Single exposure [Category 1]
  Specific target organ toxicity        Narcotic effects    
  - Single exposure [Category 3]
  ENVIRONMENTAL HAZARDS        Not classified    
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
    Danger
  Signal word
  Hazard statements        Combustible liquid    
    Harmful if swallowed or in contact with skin
    Fatal if inhaled
    Causes severe skin burns and eye damage
    May cause genetic defects
    Suspected of damaging fertility or the unborn child
    Causes damage to organs : Respiratory system
    May cause drowsiness or dizziness
  Precautionary statements:
  Chloral

Section 2. HAZARDS IDENTIFICATION
  [Prevention]        Obtain special instructions before use.    
    Do not handle until all safety precautions have been read and understood.
    Keep away from flames and hot surfaces.
    Do not breathe dust/fume/gas/mist/vapours/spray.
    Use only outdoors or in a well-ventilated area.
    Do not eat, drink or smoke when using this product.
    Wash hands thoroughly after handling.
    Wear respiratory protection.
    Wear protective gloves and eye/face protection.
  [Response]        IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for    
    breathing. Immediately call a POISON CENTER or doctor/physician.
    IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
    IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
    if present and easy to do. Continue rinsing.
    IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse
    skin with water/shower.
    Wash contaminated clothing before reuse.
    Immediately call a POISON CENTER or doctor/physician.
    Store in a well-ventilated place. Keep container tightly closed.
  [Storage]
    Store locked up.
    Dispose of contents/container through a waste management company authorized by
  [Disposal]
    the local government.
    May cause polimerization.
  Other hazards which do not
  result in classification

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        Chloral    
  Percent:        >98.0%(GC)    
  CAS Number:        75-87-6    
  Synonyms:        Trichloroacetaldehyde    
  Chemical Formula:        C2HCl3O    

Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.    
    Immediately call a POISON CENTER or doctor/physician.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of    
    soap and water. Immediately call a POISON CENTER or doctor/physician.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present    
    and easy to do. Continue rinsing.Immediately call a POISON CENTER or
    doctor/physician.
  Ingestion:        Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Do NOT    
    induce vomiting.
  Most important        Nausea, Drowsiness, Unconsciousness, Abdominal pain, Vomiting, Redness, Burn    
  symptoms/effects, acute
  and delayed:
  Protection of first-aiders: A rescuer should wear personal protective equipment, such as rubber gloves and air-
    tight goggles.
  Indication of immediate Depending on the degree of exposure, periodic medical examination is indicated.
  medical attantion and        Medical ovservation is indicated.    
  special treatment needed, if
  necessary:

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.    
  media:
  Chloral

Section 5. FIRE-FIGHTING MEASURES
  Unsuitable extinguishing Solid streams of water
  media:
  Specific hazards arising This substance may polimerize explosively when heated or involved in a fire.
  from the chemical:        Container may explode when heated. Combat fire from a sheltered position.    
    Take care as it may decompose upon combustion or in high temperatures to
    generate poisonous fume.
  Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Keep containers cool by
    spraying with water. Eliminate all ignition sources if safe to do so.
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
    Use extra personal protective equipment (self-contained breathing apparatus). Keep
  Personal precautions,
  protective equipment and people away from and upwind of spill/leak. Ensure adequate ventilation. Entry to non-
  emergency procedures: involved personnel should be controlled around the leakage area by roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Absorb spilled material in dry sand or inert absorbent before recovering it into a
  containment and cleaning covered container. In case of large amount of spillage, contain a spill by bunding.
  up: Adhered or collected material should be promptly disposed of, in accordance with
    appropriate laws and regulations.
  Prevention of secondary Remove all sources of ignition. Fire-extinguishing devices should be prepared in
  hazards:        case of a fire. Use spark-proof tools and explosion-proof equipment.    

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent generation of vapour or mist. Keep away from flames and hot surfaces. Take
    measures to prevent the build up of electrostatic charge. Use explosion-proof
    equipment. Wash hands and face thoroughly after handling.
    Use a closed system, ventilation.
  Advice on safe handling: Avoid all contact!
  Conditions for safe storage, including any
  incompatibilities
    Keep container tightly closed. Store in a refrigerator.
  Storage conditions:
    Store locked up.
    Store away from incompatible materials such as oxidizing agents.
    Heat-sensitive, Light-sensitive
    Comply with laws.
  Packaging material:

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust. Also install safety shower and eye bath.    
  Personal protective equipment
  Respiratory protection: Half or full facepiece respirator, self-contained breathing apparatus(SCBA), supplied
    air respirator, etc. Use respirators approved under appropriate government standards
    and follow local and national regulations.
    Impervious gloves.
  Hand protection:
  Eye protection:        Safety goggles. A face-shield, if the situation requires.    
  Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Liquid    
  Form:        Clear    
  Colour:        Colorless - Almost colorless    
  Odour:        Pungent    
  pH: No data available
  Chloral

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Melting point/freezing point:-56°C
  Boiling point/range:        97°C    
  Flash point:        75°C    
  Flammability or explosive
  limits:
  Lower:        No data available    
  Upper:        No data available    
  Vapour pressure:        4.7kPa/20°C    
  Vapour density:        5.1    
  Relative density:        1.52    
  Solubility(ies):
  [Water]        Very soluble    
  [Other solvents]
  Very soluble:        Ether, Alcohols, Chloroform    
  Log Pow:        0.99    

Section 10. STABILITY AND REACTIVITY
  Chemical stability:        Polymerization may occur under the influences of heat, light or on contact with    
    polymelization initiators such as peroxides etc.
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Conditions to avoid:        Heat, Open flame, Light    
  Incompatible materials: Oxidizing agents, Acids, Bases, Metals
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Hydrogen chloride, Phosgene
  products:

Section 11. TOXICOLOGICAL INFORMATION
    ihl-rat LC50:440 mg/m3/2H
  Acute Toxicity:
    ipr-mus LD50:600 mg/kg
    orl-mus LD50:725 mg/kg
    orl-rat LD50:850 mg/kg
  Skin corrosion/irritation: No data available
  Serious eye        No data available    
  damage/irritation:
  Germ cell mutagenicity: mmo-sat 1 mg/plate (+S9)
    mmo-smc 1 g/L (+S9)
  Carcinogenicity:
  IARC =        Group 3 (Not classifiable as carcinogenic to humans)    
  NTP =        No data available    
  Reproductive toxicity:        No data available    
  RTECS Number:        FM7870000    

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
    No data available
  Crustacea:
  Algae:        No data available    
  Persistence / degradability: 8% (by BOD), 70% (by HPLC), 0% (by TOC)
  Bioaccumulative        No data available    
  potential(BCF):
  Mobility in soil
    0.99
  Log Pow:
  Soil adsorption (Koc):        No data available    
    No data available
  Henry's Law
  constant(PaM3/mol):
  Chloral

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical
    incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when
    disposing of the substance.

Section 14. TRANSPORT INFORMATION
  Hazards Class:        Does not correspond to the classification standard of the United Nations    
  UN-No:        None specified (Forbidden by air and sea).    

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
  and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
    loading and unloading were prescribed.
  The list of a dangerous chemical(2002)/CN-No.: 61079


SECTION 16 - ADDITIONAL INFORMATION
N/A

Spectrum

NMR Spectrum 1H NMR : Predict
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