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Home > Encyclopedia > 2-Methyl-3-(trifluoromethyl)aniline

2-Methyl-3-(trifluoromethyl)aniline

2-Methyl-3-(trifluoromethyl)aniline structure

2-Methyl-3-(trifluoromethyl)aniline 

structure
  • CAS No:

    54396-44-0

  • Formula:

    C8H8F3N

  • Chemical Name:

    2-Methyl-3-(trifluoromethyl)aniline

  • Synonyms:

    Benzenamine,2-methyl-3-(trifluoromethyl)-;2-Methyl-3-(trifluoromethyl)benzenamine;2-Methyl-3-(trifluoromethyl)aniline;3-(Trifluoromethyl)-2-methylaniline;2-Amino-6-(trifluoromethyl)toluene;2-Methyl-3-aminobenzotrifluoride;2-Methyl-3-(trifluoromethyl)phenylamine;3-(Trifluoromethyl)-2-methylbenzenamine

  • Categories:

    Organic Chemistry  >  Organometalate

Description

White crystalline powder

2-Methyl-3-(trifluoromethyl)aniline Basic Attributes

175.15

175.15

2832865

259-145-5

569607266B

DTXSID9057769

2921430090

Characteristics

26

2.5

White Crystalline Powder

1.2±0.1 g/cm3

38-42 °C(lit.)

62-64°C4mm

>210 °F

1.481

Safety Information

6.1

2811

3

36/37/38-26/27/28

26-36-24/25

Xi,T,T+

Toxic

P305 + P351 + P338

H315-H319-H335

|Danger|H302 (31.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P284, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P320, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 60 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Methyl-3-(trifluoromethyl)aniline Use and Manufacturing

Preparation of 2-Methyl-3-Trifluoromethyl-Aniline C. The CH2 Cl2 extracts are dried over K2 CO3 and evaporated to give 2-methyl-3-trifluoromethyl-aniline (MTA) (6.5 g, 96percent yield), an oil which solidifies on standing. STR13 iv.) A mixture of 2-methyl-3-trifluoromethylaniline (368 g, 2.1 moles) and 2-chloronicotinic acid (158.0 9, 1.0 mole) in 400 ml of water is heated at 100° C. for 24 hours together with p-toluenesulfonic acid (15.0 g) monohydrate as the acid catalyst. Potassium hydroxide (ca. 145 g) in water (255 ml) is added and the pH is maintained above 11. After diluting the reaction mixture to 1.2 liters with water, the mixture is cooled to 50° C., adjusted to pH 11, treated with 7 g of a decolorizing charcoal and 15 g of a filter aid, and clarified by filtration. The filtrate is diluted with 750 ml of water and the pH is adjusted to 5.0 with concentrated sulfuric acid.iii.) 2-methyl-3-trifluoromethylpivalanilide (10.0 g)is hydrolyzed by refluxing in concentrated HBr (40 ml, 48percent) for 3 hours. The mixture is cooled to 20° C. and poured onto ice-water (40.0 g). The pH is adjusted to 9 with concentrated NaOH and the mixture is extracted with two. 30 ml portions of CH2 Cl2. The CH2 Cl2 extracts are dried over K2 CO3 and evaporated to give 2-methyl-3-trifluoromethyl-aniline (MTA) (6.5 g, 96percent yield), an oil which solidifies on standing. STR13Following the procedure of Example 1, the following substituted aniline compounds:...3-fluoro-2-methylaniline3-iodo-2-methylaniline3-trifluoromethyl-2-methylaniline560 g of 6-chloro-2-chloromethyl-3-trifluoromethylaniline hydrochloride was weighed into a pressure reactor, and ethanol, a catalyst Pd/C, and a base were added. The air in the system was replaced with hydrogen, and the system was reacted under a pressure of 4 kg of hydrogen for 48 hours, cooled, filtered, solvent-removed, and the residue was distilled under reduced pressure to obtain 262 g of a crystalline solid. The yield was 75percent, and the purity of the GC was more than 99percent.General procedure: An equimolar mixture of General procedure: An equimolar mixture of

Computed Properties

Molecular Weight:175.15
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:175.06088375
Monoisotopic Mass:175.06088375
Topological Polar Surface Area:26
Heavy Atom Count:12
Complexity:155
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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