Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate

Modify Date: 2024-01-02 20:51:19

Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate Structure
Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate structure
Common Name Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate
CAS Number 360-54-3 Molecular Weight 210.07400
Density 1.604 Boiling Point 90-91ºC
Molecular Formula C5H4F6O2 Melting Point N/A
MSDS N/A Flash Point 60ºC

 Names

Name methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.604
Boiling Point 90-91ºC
Molecular Formula C5H4F6O2
Molecular Weight 210.07400
Flash Point 60ºC
Exact Mass 210.01200
PSA 26.30000
LogP 1.90020
Index of Refraction 1.269

 MSDS

Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate Revision number: 5.3
SAFETY DATA SHEET

Section1. IDENTIFICATION
Product name:Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate

Revision number:5.3

Section2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS
Category 2
Flammable liquids
HEALTH HAZARDS
Category 3
Acute toxicity (Oral)
Skin corrosion/irritationCategory 2
Category 2A
Serious eye damage/eye irritation
ENVIRONMENTAL HAZARDSNot classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal wordDanger
Hazard statementsHighly flammable liquid and vapour
Toxic if swallowed
Causes skin irritation
Causes serious eye irritation
Precautionary statements:
Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
[Prevention]
Keep container tightly closed.
Use explosion-proof electrical/ventilating/lighting equipment. Take precautionary
measures against ignition by the static discharge and the spark.
Do not eat, drink or smoke when using this product.
Wash hands thoroughly after handling.
Wear protective gloves/eye protection/face protection.
[Response]IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. Rinse
mouth.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
if present and easy to do. Continue rinsing.
If eye irritation persists: Get medical advice/attention.
IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse
skin with water/shower.
If skin irritation occurs: Get medical advice/attention.
Take off contaminated clothing and wash before reuse.
Methyl 2-(Trifluoromethyl)-3,3,3-
trifluoropropionate

Section2. HAZARDS IDENTIFICATION
[Storage]Store in a well-ventilated place. Keep cool.
Store locked up.
[Disposal]Dispose of contents/container through a waste management company authorized by
the local government.

Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance
Substance/mixture:
Components:Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate
>98.0%(GC)
Percent:
CAS Number:360-54-3
2-(Trifluoromethyl)-3,3,3-trifluoropropionic Acid Methyl Ester , Methyl 2,2-
Synonyms:
Bis(trifluoromethyl)acetate , 2,2-Bis(trifluoromethyl)acetic Acid Methyl Ester
Chemical Formula:C5H4F6O2

Section4. FIRST AID MEASURES
Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Inhalation:
Get medical advice/attention if you feel unwell.
Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
Skin contact:
soap and water. If skin irritation or rash occurs: Get medical advice/attention.
Rinse cautiously with water for several minutes. Remove contact lenses, if present
Eye contact:
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion:Immediately call a POISON CENTER or doctor/physician. Rinse mouth.
Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air-
tight goggles.

Section5. FIRE-FIGHTING MEASURES
Suitable extinguishingDry chemical, foam, water spray, carbon dioxide.
media:
Unsuitable extinguishing Solid streams of water
media:
Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
generate poisonous fume.
from the chemical:
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 protectiveWhen extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

Section6. 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 an
containment and cleaning airtight 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.

Section7. HANDLING AND STORAGE
Precautions for safe handling
Methyl 2-(Trifluoromethyl)-3,3,3-
trifluoropropionate

Section7. HANDLING AND STORAGE
Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent generation of vapour or mist. Keep away from heat/sparks/open flame/hot
surfaces. -No smoking. 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 if possible. Use a ventilation, local exhaust if vapour or aerosol
will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Storage conditions:Keep container tightly closed. Store in a cool, dark and well-ventilated place.
Store locked up.
Store away from incompatible materials such as oxidizing agents.
Packaging material:Comply with laws.

Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Install a closed system or local exhaust. Also install safety shower and eye bath.
Engineering controls:
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.
Hand protection:Impervious gloves.
Safety goggles. A face-shield, if the situation requires.
Eye protection:
Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

Section9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C):Liquid
Clear
Form:
Colour:Colorless - Almost colorless
No data available
Odour:
pH: No data available
Melting point/freezing point:No data available
Boiling point/range:88°C
Flash point:No data available
Flammability or explosive
limits:
Lower:No data available
Upper:No data available
Relative density:1.45
Solubility(ies):
[Water]No data available
[Other solvents]No data available

Section10. STABILITY AND REACTIVITY
Chemical stability:Stable under proper conditions.
Possibility of hazardous No special reactivity has been reported.
reactions:
Conditions to avoid:Spark, Open flame, Static discharge
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide, Hydrogen fluoride
products:

Section11. TOXICOLOGICAL INFORMATION
Acute Toxicity:orl-mus LD50:300 mg/kg
ipr-mus LD50:17 mg/kg
ivn-mus LD50:15 mg/kg
Methyl 2-(Trifluoromethyl)-3,3,3-
trifluoropropionate

Section11. TOXICOLOGICAL INFORMATION
Skin corrosion/irritation: No data available
Serious eyeNo data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
No data available
IARC =
NTP =No data available
No data available
Reproductive toxicity:
RTECS Number:NQ4690000

Section12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish:No data available
Crustacea:No data available
No data available
Algae:
Persistence / degradability: No data available
No data available
Bioaccumulative
potential(BCF):
Mobility in soil
Log Pow:No data available
Soil adsorption (Koc):No data available
Henry's LawNo data available
constant(PaM3/mol):

Section13. 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 but exert extra care in igniting as this material is
highly flammable. Observe all federal, state and local regulations when disposing of the substance

Section14. TRANSPORT INFORMATION
Hazards Class:3: Flammable liquid.
Subsidiary risk:6.1: Toxic substance.
UN-No:1992
Proper shipping name:Flammable liquid, toxic, n.o.s.
Packing group:II

Section15. 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.
Methyl 2-(Trifluoromethyl)-3,3,3-
trifluoropropionate


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NQ4690000
CHEMICAL NAME :
Isobutyric acid, hexafluoro-, methyl ester
CAS REGISTRY NUMBER :
360-54-3
BEILSTEIN REFERENCE NO. :
1787515
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C5-H4-F6-O2
MOLECULAR WEIGHT :
210.09
WISWESSER LINE NOTATION :
FXFFYXFFFVO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
300 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Lungs, Thorax, or Respiration - respiratory depression Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 14,114,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
17 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Lungs, Thorax, or Respiration - respiratory depression Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 14,114,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
15 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Lungs, Thorax, or Respiration - respiratory depression Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 14,114,1969

 Safety Information

Risk Phrases R36/37/38
Safety Phrases S16;S26;S36/S37/S39
RIDADR UN 3272
HS Code 2915900090

 Synthetic Route

~95%

Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate Structure

Methyl 2-(Trifl...

CAS#:360-54-3

Literature: Misaki, Susumu; Takamatsu, Shuichi Journal of Fluorine Chemistry, 1984 , vol. 24, p. 531 - 534

~%

Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate Structure

Methyl 2-(Trifl...

CAS#:360-54-3

Literature: Tetrahedron, , vol. 24, p. 1341 - 1356

 Customs

HS Code 2915900090
Summary 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

 Synonyms

methyl 2-trifluoromethyl-3,3,3-trifluoropropanoate
Methyl hexafluoroisobutyrate
ISOBUTYRIC ACID,HEXAFLUORO-,METHYL ESTER
2-(Trifluoromethyl)-3,3,3-trifluoropropionic Acid Methyl Ester
PC5184E
methyl 2-hydrohexafluoroisobutyrate
Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate
2-hydrohexafluoroisobutyric acid methyl ester
Methyl 2,2-Bis(trifluoromethyl)acetate
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