4-(trifluoromethyl)benzoic acid

Modify Date: 2024-02-03 10:06:18

4-(trifluoromethyl)benzoic acid Structure
4-(trifluoromethyl)benzoic acid structure
Common Name 4-(trifluoromethyl)benzoic acid
CAS Number 698999-46-1 Molecular Weight 191.11200
Density N/A Boiling Point N/A
Molecular Formula C8H5F3O2 Melting Point 220ºC(lit.)
MSDS USA Flash Point N/A

 Names

Name 4-(trifluoromethyl)benzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Melting Point 220ºC(lit.)
Molecular Formula C8H5F3O2
Molecular Weight 191.11200
Exact Mass 191.02800
PSA 37.30000
LogP 2.40360

 MSDS

Version 1.0
Regulation (EC) No 1907/2006

1 - Product and Company Information

Product Name4-(TRIFLUOROMETHYL)BENZOIC
ACID-ALPHA-13C, 99 ATOM % 13C

2 - Hazards Identification

SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
Irritating to eyes, respiratory system and skin.

3 - Composition/Information on Ingredients

Product NameCAS #EC noAnnex I
Index Number
4-(TRIFLUOROMETHYL)BENZOIC698999-46-1 NoneNone
ACID-A-13C, * ATOM % C
Formula13CC7H5F3O2
Molecular Weight 191,1100 AMU
Synonymsalpha,alpha,alpha-trifluoro-p-toluic-carboxy-13C
acid, 99 atom % C

4 - First Aid Measures

AFTER INHALATION
If inhaled, remove to fresh air. If not breathing give
artificial respiration. If breathing is difficult, give oxygen.
AFTER SKIN CONTACT
In case of contact, immediately wash skin with soap and copious
amounts of water.
AFTER EYE CONTACT
In case of contact, immediately flush eyes with copious amounts
of water for at least 15 minutes.
AFTER INGESTION
If swallowed, wash out mouth with water provided person is
conscious. Call a physician.

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5 - Fire Fighting Measures

EXTINGUISHING MEDIA
Suitable: Water spray. Carbon dioxide, dry chemical powder, or
appropriate foam.
SPECIAL RISKS
Specific Hazard(s): Emits toxic fumes under fire conditions.
SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
Wear self-contained breathing apparatus and protective clothing
to prevent contact with skin and eyes.

6 - Accidental Release Measures

PROCEDURE(S) OF PERSONAL PRECAUTION(S)
Wear respirator, chemical safety goggles, rubber boots, and
heavy rubber gloves.
METHODS FOR CLEANING UP
Sweep up, place in a bag and hold for waste disposal. Avoid
raising dust. Ventilate area and wash spill site after material
pickup is complete.

7 - Handling and Storage

HANDLING
Directions for Safe Handling: Do not breathe dust. Avoid contact
with eyes, skin, and clothing. Avoid prolonged or repeated
exposure.
STORAGE
Conditions of Storage: Keep tightly closed.

8 - Exposure Controls / Personal Protection

ENGINEERING CONTROLS
Safety shower and eye bath. Mechanical exhaust required.
GENERAL HYGIENE MEASURES
Wash thoroughly after handling.
PERSONAL PROTECTIVE EQUIPMENT
Respiratory Protection: Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US)
or CEN (EU). Where risk assessment shows air-purifying respirators
are appropriate use a dust mask type N95 (US) or type P1 (EN 143)
respirator.
Hand Protection: Compatible chemical-resistant gloves.
Eye Protection: Chemical safety goggles.

9 - Physical and Chemical Properties

AppearancePhysical State: Solid
Color: White
Form: Powder
PropertyValueAt Temperature or Pressure
pH N/A
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BP/BP RangeN/A
Flash PointN/A
FlammabilityN/A
Autoignition TempN/A
Oxidizing Properties N/A
Explosive Properties N/A
Explosion LimitsN/A
Vapor PressureN/A
Partition Coefficient N/A
ViscosityN/A
Vapor DensityN/A
Saturated Vapor Conc. N/A
Evaporation RateN/A
Bulk DensityN/A
Decomposition Temp.N/A
Solvent ContentN/A
Water ContentN/A
Surface TensionN/A
ConductivityN/A
Miscellaneous DataN/A
SolubilityN/A

10 - Stability and Reactivity

STABILITY
Stable: Stable.
Materials to Avoid: Oxidizing agents, Reducing agents, Bases.
HAZARDOUS DECOMPOSITION PRODUCTS
Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide,
Hydrogen fluoride.
HAZARDOUS POLYMERIZATION
Hazardous Polymerization: Will not occur

11 - Toxicological Information

SIGNS AND SYMPTOMS OF EXPOSURE
To the best of our knowledge, the chemical, physical, and
toxicological properties have not been thoroughly investigated.
ROUTE OF EXPOSURE
Skin Contact: Causes skin irritation.
Skin Absorption: May be harmful if absorbed through the skin.
Eye Contact: Causes eye irritation.
Inhalation: May be harmful if inhaled. Material is irritating to
mucous membranes and upper respiratory tract.
Ingestion: May be harmful if swallowed.

12 - Ecological Information

No data available.

13 - Disposal Considerations

SUBSTANCE DISPOSAL
Contact a licensed professional waste disposal service to dispose
of this material. Dissolve or mix the material with a combustible
solvent and burn in a chemical incinerator equipped with an
afterburner and scrubber. Observe all federal, state, and local
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environmental regulations.

14 - Transport Information

RID/ADR
Non-hazardous for road transport.
IMDG
Non-hazardous for sea transport.
IATA
Non-hazardous for air transport.

15 - Regulatory Information

CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES
INDICATION OF DANGER: Xi
Irritant.
R-PHRASES: 36/37/38
Irritating to eyes, respiratory system and skin.
S-PHRASES: 26
In case of contact with eyes, rinse immediately with plenty of
water and seek medical advice.
COUNTRY SPECIFIC INFORMATION
Germany
WGK: 3
Self-Classification

16 - Other Information

WARRANTY
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. Inc.,
shall not be held liable for any damage resulting from handling or
from contact with the above product. See reverse side of invoice
or packing slip for additional terms and conditions of sale.
Copyright 2010 Co. License granted to make
unlimitedpaper copies for internal use only.
DISCLAIMER
For R&D use only. Not for drug, household or other uses.
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SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Hazard Codes Xi
Risk Phrases 36/37/38
Safety Phrases 26
RIDADR NONH for all modes of transport

 Synonyms

|A,|A,|A-Trifluoro-p-toluic-carboxy-13C acid
4-(Trifluoromethyl)benzoic acid-|A-13C