116965-16-3

116965-16-3 - Names and Identifiers

Name	3-Nitro-4-(trifluoromethyl)benzoic acid
Synonyms	3NTF-BOA 3-NITRO-4-(TRIFLUOROMETHYL)BENZOIC 1,2-dibromo-1,1,2-trifluoro-ethane 3-Nitro-4-trifluoromethylbenzoic Acid 3-NITRO-4-(TRIFLUOROMETHYL)BENZOIC ACID 4-(Trifluoromethyl)-3-nitrobenzoic acid 3-Nitro-4-(trifluoromethyl)benzoic acid Benzoic acid, 3-nitro-4-(trifluoromethyl)- methyl 2-hydroxy-2-(trifluoromethyl)pent-4-enoate 5-Carboxy-2-(trifluoromethyl)nitrobenzene, 4-Carboxy-2-nitrobenzotrifluoride
CAS	116965-16-3
InChI	InChI=1/C2HBr2F3/c3-1(5)2(4,6)7/h1H/t1-/m0/s1

116965-16-3 - Physico-chemical Properties

Molecular Formula	C8H4F3NO4
Molar Mass	235.12
Density	1.596
Melting Point	169°C
Boling Point	330.0±42.0 °C(Predicted)
Flash Point	1°C
Solubility	Acetone (Slightly), Methanol (Slightly)
Vapor Presure	104mmHg at 25°C
Appearance	White to light yellow crystal powder
Color	Yellow
pKa	3.03±0.10(Predicted)
Storage Condition	2-8°C
Refractive Index	1.432

116965-16-3 - 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. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection.
Hazard Note	Irritant
Hazard Class	IRRITANT, IRRITANT-H

116965-16-3 - Introduction

3-nitro-4-trifluoromethylbenzoic acid, chemical formula C8H4F3NO4, is an organic compound. The following is a description of its nature, use, preparation and safety information:

Nature:
-Appearance: 3-Nitro-4-trifluoromethylbenzoic acid is a white crystalline solid.
-Solubility: Soluble in organic solvents, such as ethanol, acetone and dimethyl ketone, insoluble in water.
-Melting point: about 150°C.
-Main functional groups: nitro (-NO2), trifluoromethyl (-CF3) and carboxyl (-COOH).

Use:
-3-nitro-4-trifluoromethylbenzoic acid is often used as an important intermediate in organic synthesis.
-It can be used to synthesize organic compounds such as drugs, dyes and pesticides.
-Can also be used as a monomer for some polymers.

Preparation Method:
-3-nitro-4-trifluoromethylbenzoic acid has many preparation methods, and one of the commonly used methods is obtained by nitration of nitroformic acid. The specific steps are first reacting p-nitroformic acid and trifluoromethanesulfonic acid in an organic solvent, and then extracting and purifying the product.

Safety Information:
-3-nitro-4-trifluoromethylbenzoic acid is generally dangerous and should be handled with care.
-Contact with the skin may cause irritation and allergic reactions, should wear appropriate protective gloves and clothing.
-Inhalation of dust or vapors may cause irritation to the respiratory tract and eyes, and should be handled in a well-ventilated place to avoid direct contact.
-During use, please read and follow the relevant safety operation guidelines, and ensure personal safety through appropriate protective measures.

Last Update：2024-04-09 02:00:41