3-(Trifluoromethoxy)benzoic acid

Modify Date: 2024-01-10 13:49:16

3-(Trifluoromethoxy)benzoic acid Structure
3-(Trifluoromethoxy)benzoic acid structure
Common Name 3-(Trifluoromethoxy)benzoic acid
CAS Number 1014-81-9 Molecular Weight 206.119
Density 1.4±0.1 g/cm3 Boiling Point 243.8±35.0 °C at 760 mmHg
Molecular Formula C8H5F3O3 Melting Point 89-92 °C(lit.)
MSDS USA Flash Point 101.2±25.9 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 3-(Trifluoromethoxy)benzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 243.8±35.0 °C at 760 mmHg
Melting Point 89-92 °C(lit.)
Molecular Formula C8H5F3O3
Molecular Weight 206.119
Flash Point 101.2±25.9 °C
Exact Mass 206.019073
PSA 46.53000
LogP 3.06
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.478

 MSDS

Name: 3-(Trifluoromethoxy)benzoic acid, 99+% (titr.) Material Safety Data Sheet
Synonym:
CAS: 1014-81-9
Section 1 - Chemical Product MSDS Name: 3-(Trifluoromethoxy)benzoic acid, 99+% (titr.) Material Safety Data Sheet
Synonym:

SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1014-81-9 3-(Trifluoromethoxy)benzoic acid, 99+% 99+% 213-802-2
+++++
Hazard Symbols: XI
SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated. Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation.
Chronic:
Not available.
SECTION 4 - FIRST AID MEASURES
Eyes:
Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. Get medical aid if cough or other symptoms appear.
Notes to Physician:


SECTION 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.
SECTION 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.
SECTION 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
SECTION 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Exposure Limits CAS# 1014-81-9: Personal Protective Equipment
Eyes:
Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear a chemical apron.
Respirators:
A NIOSH/MSHA approved air purifying dust or mist respirator or European Standard EN 149.
SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 86.0 - 88.0 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H5F3O3
Molecular Weight: 206.12
SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids, strong bases, strong reducing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported.
SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1014-81-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-(Trifluoromethoxy)benzoic acid, 99+% - Not listed by ACGIH, IARC, or NTP.
SECTION 12 - ECOLOGICAL INFORMATION
SECTION 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations.
SECTION 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material.
SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 1014-81-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 1014-81-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1014-81-9 is not listed on the TSCA inventory. It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 9/02/1997 Revision #2 Date: 3/18/2003 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

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
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xi:Irritant;
Risk Phrases R36/37/38
Safety Phrases S26-S36-S37/39
RIDADR NONH for all modes of transport
WGK Germany 3
HS Code 2918990090

 Synthetic Route

~87%

3-(Trifluoromethoxy)benzoic acid Structure

3-(Trifluoromet...

CAS#:1014-81-9

Literature: Castagnetti, Eva; Schlosser, Manfred European Journal of Organic Chemistry, 2001 , # 4 p. 691 - 695

 Customs

HS Code 2918990090
Summary 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Articles1

More Articles
NMR spectroscopic and theoretical chemistry studies on the internal acyl migration reactions of the 1-O-acyl-beta-D-glucopyranuronate conjugates of 2-, 3-, and 4-(trifluoromethyl) benzoic acids.

Chem. Res. Toxicol. 9(8) , 1414-24, (1996)

High resolution 19F NMR spectroscopy has been used to investigate the kinetics of internal acyl migration and hydrolysis of the synthetic beta -1-O-acyl-D-glucopyranuronates of 2-, 3-, and 4-(trifluor...

 Synonyms

EINECS 213-802-2
m-(Trifluoromethoxy)benzoic acid
QVR COXFFF
3-(Trifluoromethoxy)benzoicacid
3-Trifluormethoxy-benzoesaeure
3-trifluoromethoxy benzoic acid
Benzoic acid, 3-(trifluoromethoxy)-
α,α,α-Trifluoro-m-anisic acid
MFCD00041501
3-(Trifluoromethoxy)benzoic acid
3-trifluoromethyloxybenzoic acid