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3-Nitro-4-(trifluoromethyl)benzoic acid

3-Nitro-4-(trifluoromethyl)benzoic acid

CAS: 116965-16-3

Molecular Formula: C8H4F3NO4

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3-Nitro-4-(trifluoromethyl)benzoic acid - 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

3-Nitro-4-(trifluoromethyl)benzoic acid - Physico-chemical Properties

Molecular FormulaC8H4F3NO4
Molar Mass235.12
Density1.596
Melting Point169°C
Boling Point330.0±42.0 °C(Predicted)
Flash Point1°C
Solubility Acetone (Slightly), Methanol (Slightly)
Vapor Presure104mmHg at 25°C
AppearanceWhite to light yellow crystal powder
ColorYellow
pKa3.03±0.10(Predicted)
Storage Condition2-8°C
Refractive Index1.432

3-Nitro-4-(trifluoromethyl)benzoic acid - Risk and Safety

Hazard SymbolsXi - Irritant
Irritant
Risk Codes36/37/38 - Irritating to eyes, respiratory system and skin.
Safety DescriptionS26 - 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 NoteIrritant
Hazard ClassIRRITANT, IRRITANT-H

3-Nitro-4-(trifluoromethyl)benzoic acid - 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
3-Nitro-4-(trifluoromethyl)benzoic acid
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