3-Carboxy-5-nitrobenzotrifluoride

3-Carboxy-5-nitrobenzotrifluoride - Names and Identifiers

Name	3-nitro-5-(trifluoromethyl)benzoic acid
Synonyms	BUTTPARK 251-30 RARECHEM AL BO 1012 LABOTEST-BB LT00454389 3-CARBOXY-5-NITROBENZOTRIFLUORIDE 3-Carboxy-5-nitrobenzotrifluoride 3-nitro-5-(trifluoromethyl)benzoate A,A,A-TRIFLUORO-5-NITRO-M-TOLUIC ACID 3-TRIFLUOROMETHYL-5-NITROBENZOIC ACID 3-nitro-5-(trifluoromethyl)benzoic acid 1,2-dichloro-4-(trifluoromethyl)benzene 5-(Trifluoromethyl)-3-nitrobenzoic acid 3-NITRO-5-(TRIFLUOROMETHYL)BENZOIC ACID
CAS	328-80-3
EINECS	630-023-7
InChI	InChI=1/C8H4F3NO4/c9-8(10,11)5-1-4(7(13)14)2-6(3-5)12(15)16/h1-3H,(H,13,14)/p-1

3-Carboxy-5-nitrobenzotrifluoride - Physico-chemical Properties

Molecular Formula	C8H4F3NO4
Molar Mass	235.12
Density	1.596±0.06 g/cm3(Predicted)
Melting Point	128 °C
Boling Point	309.9±42.0 °C(Predicted)
Flash Point	141.2°C
Vapor Presure	0.000268mmHg at 25°C
BRN	2284651
pKa	3.05±0.10(Predicted)
Storage Condition	Sealed in dry,Room Temperature
MDL	MFCD00024509

3-Carboxy-5-nitrobenzotrifluoride - 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. S60 - This material and its container must be disposed of as hazardous waste. S37 - Wear suitable gloves.
HS Code	29163990
Hazard Class	IRRITANT

3-Carboxy-5-nitrobenzotrifluoride - Introduction

3-nitro-5-(trifluoromethyl)benzoic acid, also known as 3-nitro-5-(trifluoromethyl)benzoic acid, is an organic compound. The following is a description of some of the properties, uses, preparation and safety information of the compound:

Nature:
-Appearance: White crystalline solid
-Molecular formula: C8H4F3NO4
-Molecular weight: 233.12g/mol
-Melting Point: 135-139 ℃
-Boiling point: 318.4 ℃
-Solubility: Soluble in some organic solvents, such as methanol and ethanol

Use:
- 3-nitro-5-(trifluoromethyl)benzoic acid can be used as a synthetic raw material for pharmaceutical intermediates, pesticide intermediates and dye intermediates.
-It can also be used for reduction reactions, oxidation reactions and nucleophilic substitution reactions in organic synthesis.

Method:
- 3-nitro-5-(trifluoromethyl)benzoic acid can be prepared in two main ways:
1. 3-nitrobenzoic acid reacts with trifluoromethylmagnesium fluoride to produce 3-nitro-5-(trifluoromethyl)benzoic acid.
2. First, 2,3,4,5-tetrafluorobenzaldehyde and dinitrobenzene to form 4-(dinitrophenyl)-2,3,4,5-tetrafluorobenzoic acid, and then a reduction reaction.

Safety Information:
- 3-nitro-5-(trifluoromethyl)benzoic acid is an organic compound with certain toxicity and should be carefully operated in laboratory and production environments.
-Skin contact and inhalation may cause irritation and effects on the respiratory system, and appropriate protective measures should be taken.
-Avoid prolonged or heavy exposure, avoid contact with eyes and food.
-If ingested or inhaled, seek medical attention immediately.

Last Update：2024-04-09 02:00:45