2,6-bis(trifluoromethyl)benzoate

2,6-bis(trifluoromethyl)benzoate - Names and Identifiers

Name	2,6-bis(trifluoromethyl)benzoic acid
Synonyms	BUTTPARK 441-73 RARECHEM AL BO 0513 TIMTEC-BB SBB000962 2,6-bis(trifluoromethyl)benzoate 2,6-DI(TRIFLUOROMETHYL)BENZOIC ACID 2,6-bis(trifluoromethyl)benzoic acid 2,6-BIS(TRIFLUOROMETHYL)BENZOIC ACID Benzoic acid, 2,6-bis(trifluoromethyl)-
CAS	24821-22-5
EINECS	246-479-1
InChI	InChI=1/C9H4F6O2/c10-8(11,12)4-2-1-3-5(9(13,14)15)6(4)7(16)17/h1-3H,(H,16,17)/p-1

2,6-bis(trifluoromethyl)benzoate - Physico-chemical Properties

Molecular Formula	C9H4F6O2
Molar Mass	258.12
Density	1.527
Melting Point	138-140 °C (lit.)
Boling Point	220℃
Flash Point	87℃
Water Solubility	Soluble in water.
Vapor Presure	0.069mmHg at 25°C
Appearance	Crystalline Powder
Color	White
BRN	2057459
pKa	2.27±0.50(Predicted)
Storage Condition	Room Temprature
MDL	MFCD00000376

2,6-bis(trifluoromethyl)benzoate - 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. S37/39 - Wear suitable gloves and eye/face protection S36 - Wear suitable protective clothing.
WGK Germany	3
HS Code	29163990
Hazard Class	IRRITANT

2,6-bis(trifluoromethyl)benzoate - Introduction

2,6-bis(trifluoromethyl)benzoic acid is an organic compound with the chemical formula C9H4F6O2. The following is a description of some of its properties, uses, methods and safety information:

Nature:
-Appearance: 2,6-bis(trifluoromethyl)benzoic acid is a colorless crystalline solid.
-Solubility: It is soluble in many organic solvents, but almost insoluble in water.
-Melting point and boiling point: Its melting point is about 114-115°C, and its boiling point is about 275-276°C.

Use:
-Chemical intermediate: 2,6-bis(trifluoromethyl)benzoic acid is used as an important intermediate in organic synthesis, especially for the synthesis of compounds containing a trifluoromethylbenzene ring.
-Pharmaceutical Research: It is used in pharmaceutical research to synthesize, improve and explore new drug molecules.
-Surfactant: This compound can be used to prepare surfactants to improve surface tension and wetting properties.

Method:
2,6-bis(trifluoromethyl)benzoic acid can be prepared by the following steps:
1. First, add trifluoromethyl magnesium bromide to benzoic anhydride in the chemical laboratory to obtain 2,6-bis(trifluoromethyl)benzoic acid anhydride.
2. Then, add the obtained ester to an alkaline solution for hydrolysis reaction to obtain 2,6-bis(trifluoromethyl)benzoic acid.

Safety Information:
- 2,6-bis(trifluoromethyl)benzoic acid should be kept away from ignition and oxidizing agents.
-Take appropriate precautions during handling and use, such as wearing chemical protective gloves and goggles.
-The toxicity and harmfulness of this compound have not been studied in detail, so you should use it with caution and follow the relevant safety guidelines.

Last Update：2024-04-09 21:01:54

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