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Home > Encyclopedia > 4-Fluoro-2-(trifluoromethyl)aniline

4-Fluoro-2-(trifluoromethyl)aniline

4-Fluoro-2-(trifluoromethyl)aniline structure

4-Fluoro-2-(trifluoromethyl)aniline 

structure
  • CAS No:

    393-39-5

  • Formula:

    C7H5F4N

  • Chemical Name:

    4-Fluoro-2-(trifluoromethyl)aniline

  • Synonyms:

    Benzenamine,4-fluoro-2-(trifluoromethyl)-;o-Toluidine,α,α,α,4-tetrafluoro-;4-Fluoro-2-(trifluoromethyl)benzenamine;4-Fluoro-2-(trifluoromethyl)aniline;2-(Trifluoromethyl)-4-fluoroaniline;2-Amino-5-fluorobenzotrifluoride;α,α,α,4-Tetrafluoro-2-methylaniline;NSC 10325;(4-Fluoro-2-trifluoromethylphenyl)amine;α,α,α,4-Tetrafluoro-2-toluidine

  • Categories:

    Organic Chemistry  >  Organic Fluorine Compound

Description

clear light yellow to pale brown liquid

4-Fluoro-2-(trifluoromethyl)aniline Basic Attributes

179.11

179.11

2098758

206-886-7

10325

DTXSID9022029

2921420090

Characteristics

26

2.2

Slightly yellow liquid

1.4±0.1 g/cm3

70-72 °C @ Press: 17.5 Torr

162 °F

1.460

0-6°C

Safety Information

I; II; III

6.1

NONH for all modes of transport

3

20/21/22-36/37/38

26-36

Xn,Xi

Irritant

Stable at room temperature in closed containers under normal storage and handling conditions.

P261-P280-P305 + P351 + P338

H302 + H312 + H332-H315-H319-H335

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Fluoro-2-(trifluoromethyl)aniline Use and Manufacturing

Methods of Manufacturing

General procedure: A 25 mL of Schlenk tube equipped with a magnetic stir bar were charged with aniline (1.2 mmol, 3.0 equiv) or heterocycles (0.8 mmol, 2.0 equiv), K2CO3 (0.8 mmol, 2.0 equiv) and fac-Ir(ppy)3 (2.6 mg, 0.004 mmol, 1 mol percent), under air. The vessel was evacuated and backfilled with Ar (3 times), CF3I stock solution (0.56 mL, 0.71 mmol/mL in 1, 2-chloroethane or 0.36 mL, 1.11 mmol/mL in DMSO, 1.0 equiv), anhydrous 1, 2-dichloroethane (3 mL) were then added. The tube was screw capped and stirred at room temperature under irradiation of blue LEDs (12 W) for 24 hours. The reaction mixture was filtered through a pad of Celite and washed with ethyl acetate (3×5 mL). The filtrate was concentrated. The residue was subjected to column chromatography on silica gel to afford the pure product.In the preparation method of the trifluoromethyl aromatic amine of the present embodiment, the aromatic amine is p-fluoroaniline, and other reactions and post-treatment processes are the same as in the embodiment 28.

Uses

Used as medicine and pesticide intermediate

Computed Properties

Molecular Weight:179.11
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Exact Mass:179.03581181
Monoisotopic Mass:179.03581181
Topological Polar Surface Area:26
Heavy Atom Count:12
Complexity:156
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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