4-(Trifluoroacetyl)benzoic acid

Modify Date: 2024-01-14 08:46:02

4-(Trifluoroacetyl)benzoic acid Structure
4-(Trifluoroacetyl)benzoic acid structure
Common Name 4-(Trifluoroacetyl)benzoic acid
CAS Number 58808-59-6 Molecular Weight 218.129
Density 1.5±0.1 g/cm3 Boiling Point 313.5±42.0 °C at 760 mmHg
Molecular Formula C9H5F3O3 Melting Point 178 °C
MSDS Chinese USA Flash Point 143.4±27.9 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 4-(trifluoroacetyl)benzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.5±0.1 g/cm3
Boiling Point 313.5±42.0 °C at 760 mmHg
Melting Point 178 °C
Molecular Formula C9H5F3O3
Molecular Weight 218.129
Flash Point 143.4±27.9 °C
Exact Mass 218.019073
PSA 54.37000
LogP 2.10
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.494

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
4-(Trifluoroacetyl)benzoic acid
Product Name:
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315:Causes skin irritation
H319:Causes serious eye irritation
H335:May cause respiratory irritation
P261:Avoid breathing dust/fume/gas/mist/vapours/spray
Wear protective gloves/protective clothing/eye protection/face protection
P280:
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340:IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405:Store locked up

Section3. Composition/information on ingredients.
4-(Trifluoroacetyl)benzoic acid
Ingredient name:
CAS number:58808-59-6

Section4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage:Store in closed vessels.

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Not specified
Appearance:
Boiling point:No data
Melting point:No data
Flash point:No data
Density:No data
Molecular formula:C9H5F3O3
Molecular weight:218.1

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, hydrogen fluoride.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Hazard Codes Xi: Irritant;
Risk Phrases R36/37/38
Safety Phrases S26-S36
RIDADR NONH for all modes of transport
HS Code 2918300090

 Synthetic Route

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4-(Trifluoroacetyl)benzoic acid Structure

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CAS#:58808-59-6

Literature: US6177417 B1, ;

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4-(Trifluoroacetyl)benzoic acid Structure

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CAS#:58808-59-6

Literature: Fujisawa; Ichikawa; Shimizu Tetrahedron Asymmetry, 1993 , vol. 4, # 6 p. 1237 - 1240

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4-(Trifluoroacetyl)benzoic acid Structure

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CAS#:58808-59-6

Literature: Bioorganic and Medicinal Chemistry, , vol. 20, # 21 p. 6523 - 6532,10 Bioorganic and Medicinal Chemistry, , vol. 20, # 21 p. 6523 - 6532

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4-(Trifluoroacetyl)benzoic acid Structure

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CAS#:58808-59-6

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4-(Trifluoroacetyl)benzoic acid Structure

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CAS#:58808-59-6

Literature: Bulletin of the Chemical Society of Japan, , vol. 72, # 6 p. 1365 - 1375

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4-(Trifluoroacetyl)benzoic acid Structure

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CAS#:58808-59-6

Literature: Liebigs Annalen der Chemie, , # 9 p. 1510 - 1523

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4-(Trifluoroacetyl)benzoic acid Structure

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CAS#:58808-59-6

Literature: Tetrahedron Asymmetry, , vol. 4, # 6 p. 1237 - 1240

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4-(Trifluoroacetyl)benzoic acid Structure

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CAS#:58808-59-6

Literature: Journal of Organometallic Chemistry, , vol. 251, # 2 p. 139 - 148

 Customs

HS Code 2918300090
Summary 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

 Synonyms

MFCD00052340
4-(2,2,2-trifluoroacetyl)benzoic acid
Benzoic acid, 4-(2,2,2-trifluoroacetyl)-
4-(Trifluoroacetyl)benzoic acid
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