654-99-9

654-99-9 - Names and Identifiers

Name	5-fluoro-2-(trifluoromethyl)benzoic acid
Synonyms	OTF-BOA-5F RARECHEM AL BO 0853 5-FLuoro-2-trifluoromethylbenz à,à,à,5-tetrafluoro-o-toluic acid 5-fluoro-2-(trifluoromethyl)benzoate 2-Trifluoromethyl-5-Fluorobrnzoic Acid 5-fluoro-2-(trifluoromethyl)benzoic acid 5-FLUORO-2-(TRIFLUOROMETHYL)BENZOIC ACID alpha,alpha,alpha,5-Tetrafluoro-o-toluic acid
CAS	654-99-9
EINECS	626-221-8
InChI	InChI=1/C8H4F4O2/c9-4-1-2-6(8(10,11)12)5(3-4)7(13)14/h1-3H,(H,13,14)/p-1
InChIKey	BRFNBGWEOKQIND-UHFFFAOYSA-N

654-99-9 - Physico-chemical Properties

Molecular Formula	C8H4F4O2
Molar Mass	208.11
Density	1.489±0.06 g/cm3(Predicted)
Melting Point	80-83 °C (lit.)
Boling Point	238.2±40.0 °C(Predicted)
Flash Point	97.8°C
Solubility	slightly sol. in Methanol
Vapor Presure	0.0235mmHg at 25°C
Appearance	powder to crystal
Color	White to Almost white
BRN	2618195
pKa	2.89±0.36(Predicted)
Storage Condition	Sealed in dry,Room Temperature

654-99-9 - 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. S37/39 - Wear suitable gloves and eye/face protection S37 - Wear suitable gloves.
WGK Germany	3
HS Code	29163990
Hazard Class	IRRITANT

654-99-9 - Introduction

5-fluoro-2-(trifluoromethyl)benzoic acid is an organic compound with the chemical formula C8H4F4O2. The following is a description of some of the properties, uses, preparation and safety information of the compound:

Nature:
-Appearance: White crystalline powder.
-Melting point: about 105-107°C.
-Boiling point: about 262°C.
-Solubility: Soluble in organic solvents (such as dimethyl sulfoxide, dichloromethane), insoluble in water.

Use:
- 5-fluoro-2-(trifluoromethyl)benzoic acid can be used as reagents and intermediates in organic synthesis.
-It is often used to prepare compounds with biological activity.

Preparation Method:
The common method for preparing 5-fluoro-2-(trifluoromethyl)benzoic acid is obtained by the reaction of p-trifluoromethylbenzaldehyde with hydrogen fluoride. The specific reaction conditions need to be determined according to laboratory conditions and operation, and usually need to be carried out under inert atmosphere.

Safety Information:
- 5-fluoro-2-(trifluoromethyl)benzoic acid is an organic compound, and appropriate protective measures should be taken during use and handling, such as wearing protective gloves, goggles and protective clothing.
-Avoid inhalation, ingestion or contact with skin.
-Maintain well-ventilated laboratory conditions during use.
-Avoid contact with oxidants and strong acids during processing to prevent dangerous reactions.
-Disposal of surplus materials and waste in accordance with local laws and regulations.

Last Update：2024-04-10 22:29:15