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89976-12-5

2-Methyl-5-nitrobenzotrifluoride

CAS: 89976-12-5

Molecular Formula: C8H6F3NO2

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89976-12-5 - Names and Identifiers

Name 2-Methyl-5-nitrobenzotrifluoride
Synonyms Ponatinib Impurity 6
4-nitro-2-trifluorotoluen
4-Nitro-2-Trifluorotoluene
2-Methyl-5-nitrobenzotrifluoride
2-METHYL-5-NITROBENZOTRIFLUORIDE
4-NITRO-2-(TRIFLUOROMETHYL)TOLUENE
3-TrifluoroMethyl-4-Methylnitrobenzene
1-Methyl-4-nitro-2-(trifluoromethyl)benzene
Benzene,1-Methyl-4-nitro-2-(trifluoroMethyl)-
benzene, 1-methyl-4-nitro-2-(trifluoromethyl)-
4-Nitro-2-(trifluoromethyl)toluene, 4-Methyl-3-(trifluoromethyl)nitrobenzene
CAS 89976-12-5
EINECS 806-491-5
InChI InChI=1/C8H6F3NO2/c1-5-2-3-6(12(13)14)4-7(5)8(9,10)11/h2-4H,1H3

89976-12-5 - Physico-chemical Properties

Molecular FormulaC8H6F3NO2
Molar Mass205.13
Density1.357±0.06 g/cm3(Predicted)
Melting Point34-35 °C
Boling Point220.5±35.0 °C(Predicted)
Flash Point87.131°C
Water SolubilitySlightly soluble in water.
Vapor Presure0.167mmHg at 25°C
AppearanceSolid
ColorOff-white
Storage Conditionunder inert gas (nitrogen or Argon) at 2-8°C
SensitiveMoisture Sensitive
Refractive Index1.476
MDLMFCD01631684

89976-12-5 - Risk and Safety

Hazard SymbolsXi - Irritant
Irritant
Risk CodesR20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38 - Irritating to eyes, respiratory system and skin.
Safety DescriptionS23 - Do not breathe vapour.
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 NoteHarmful
Hazard Class6.1

89976-12-5 - Introduction

It is an organic compound with a chemical formula of C8H6F3NO2 and a molecular weight of 207.13. The following is an introduction to some of its properties and uses, as well as preparation methods and safety information:

Nature:
-Appearance: Colorless to light yellow liquid
-Melting point:-7°C
-Boiling Point: 166-167°C
-Density: 1.45-1.46g/cm³
-Solubility: Soluble in organic solvents, insoluble in water

Use:
Generally used for the following:
-As an organic synthesis intermediate, used in the synthesis of other organic compounds, such as drugs and dyes.
-used in organic synthesis reaction of nitro reagent.
-As a reagent for the determination of organic matter by liquid chromatography.
-Can be used as a surfactant in the electronics industry.

Preparation Method:
It can be prepared by the following methods:
-can be obtained by the reaction of methyl benzene and fluoromethanesulfonyl fluoride under acid catalysis.
-It can also be obtained by nitration of toluene and subsequent reaction of the product with trifluoroformic acid.

Safety Information:
It is irritating and sensitizing, and direct contact with skin and eyes should be avoided. Wear appropriate protective equipment such as gloves and goggles during use. Avoid inhaling gas or swallowing. In case of accidental contact, rinse immediately with water and seek medical help. When stored should be away from fire and oxidant, away from children and pets.
Last Update:2024-04-09 15:18:00
89976-12-5
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