115754-21-7

115754-21-7 - Names and Identifiers

Name	3-fluoro-4-(trifluoromethyl)benzoic acid
Synonyms	RARECHEM AL BO 0852 1-(2,4-difluorophenyl)piperazine 3-fluoro-4-(trifluoromethyl)benzoate 3-Fuoro-4-trifluoromethylbenzoic acid 3-fluoro-4-(trifluoromethyl)benzoic acid 3-Fluoro-4-(trifluoroMethyl)benzoic aicd 3-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID Benzoic acid, 3-fluoro-4-(trifluoromethyl)- alpha,alpha,alpha,3-Tetrafluoro-p-toluic acid alpha,alpha,alpha,3-Tetrafluoro-p-toluic Acid 4-Carboxy-2-fluorobenzotrifluoride, alpha,alpha,alpha,3-Tetrafluoro-p-toluic acid
CAS	115754-21-7
EINECS	624-783-9
InChI	InChI=1/C8H4F4O2/c9-6-3-4(7(13)14)1-2-5(6)8(10,11)12/h1-3H,(H,13,14)/p-1
InChIKey	HRIHSNPFVGMAKX-UHFFFAOYSA-N

115754-21-7 - Physico-chemical Properties

Molecular Formula	C8H4F4O2
Molar Mass	208.11
Density	1.489
Melting Point	174-179 °C (lit.)
Boling Point	251℃
Flash Point	106℃
Solubility	DMSO (Slightly), Methanol (Slightly)
Vapor Presure	0.0107mmHg at 25°C
Appearance	White to off-white crystalline powder
Color	White to Off-White
pKa	3.35±0.10(Predicted)
Storage Condition	Sealed in dry,Room Temperature
MDL	MFCD00236279

115754-21-7 - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing.
WGK Germany	3
HS Code	29163990
Hazard Class	IRRITANT

115754-21-7 - Introduction

3-fluoro-4-trifluoromethylbenzoic acid (acid) is an organic compound. Its molecular formula is C8H4F4O2. The following is a description of the properties, uses, preparation and safety information of the compound:

Nature:
-Appearance: Colorless to light yellow crystal
-melting point: 110-114 ℃
-Boiling point: 242 ℃
-Density: 1.703g/cm³
-Solubility: Soluble in some organic solvents, such as alcohols and ethers

Use:
-3-Fluoro-4-trifluoromethylbenzoic acid is commonly used as an intermediate in drug synthesis. It can be used to synthesize a series of bioactive compounds, such as antiviral and anticancer drugs.

Method:
The preparation of-3-fluoro-4-trifluoromethylbenzoic acid can be completed through a series of chemical reactions. A common preparation method is to obtain 3-fluoro-4-nitrobenzoic acid by reacting nitrobenzene with fluorotriiodomethane, then reducing the nitro group to amino group with silver fluoride, and finally protecting the carboxyl group of the acid compound to ester group by thionyl chloride to obtain the target product.

Safety Information:
- 3-fluorine -4-trifluoromethyl benzoic acid specific toxicity and hazard information is currently lacking, but it is an organic compound, in general, chemical substances have a certain potential risk. When using or handling the compound, please follow the correct safety procedures, such as wearing appropriate personal protective equipment (such as gloves, safety glasses and laboratory coats), avoid contact with skin and eyes, and avoid inhaling its vapors or dust. In addition, the compound should be stored and handled properly, avoiding fire and high temperature. During use, attention should be paid to compatibility and reactivity with other compounds. In order to further understand the safety information of this compound, it is recommended to refer to the relevant chemical substance safety data.

Last Update：2024-04-09 15:17:51