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2-Amino-5-chlorobenzotrifluoride | CAS 445-03-4

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2-Amino-5-chlorobenzotrifluoride Basic information

Product Name:2-Amino-5-chlorobenzotrifluoride
Synonyms:Aniline,4-chloro-2-trifluoromethyl-;Benzenamine,4-chloro-2-(trifluoromethyl)-;C.I. 37055;C.I. Azoic Diazo Component 17;Diazo Fast Scarlet VD;Fast Scarlet Salt VD;4-chloro-2-(trifluoromethyl)-benzenamin;5-Chloro-2-aminobenzotrifluoride
CAS:445-03-4
MF:C7H5ClF3N
MW:195.57
EINECS:207-151-3
Product Categories:API Intermediate;Aromatic Halides (substituted);445-03-4
Mol File:445-03-4.mol

2-Amino-5-chlorobenzotrifluoride Chemical Properties

Melting point 8.8 °C
Boiling point 66-67 °C3 mm Hg(lit.)
density 1.386 g/mL at 25 °C(lit.)
vapor pressure 48.5-1013hPa at 110.5-208.2℃
refractive index n20/D 1.507(lit.)
Fp 203 °F
storage temp. 2-8°C
pka0.83±0.10(Predicted)
form clear liquid
color Colorless to Orange to Green
Specific Gravity1.386
PH7.4 at 20℃ and 995mg/L
BRN 2366801
LogP2.68
CAS DataBase Reference445-03-4(CAS DataBase Reference)
NIST Chemistry ReferenceBenzenamine, 4-chloro-2-(trifluoromethyl)-(445-03-4)
EPA Substance Registry System4-Chloro-2-(trifluoromethyl)aniline (445-03-4)

Safety Information

Hazard Codes Xn,Xi
Risk Statements 20/21/22-33-36/37/38-41-22
Safety Statements 26-36-37/39
RIDADR UN 2810
WGK Germany 2
Hazard Note Irritant
TSCA T
HazardClass 6.1
PackingGroup III
HS Code 29214300

MSDS Information

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2-Amino-5-chlorobenzotrifluoride English
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2-Amino-5-chlorobenzotrifluoride Usage And Synthesis

UsesPreparationSynthesis
Chemical PropertiesClear yellow liquid
4-Chloro-2-(trifluoromethyl)aniline was used in the synthesis of 2-amino-5-chloro 3-(trifluoromethyl)benzenethiol.
Uses2-Amino-5-chlorobenzotrifluoride is a biologically active compound and useful building block. It can be transformed into a variety of valuable fluorine-containing molecules and heterocyclic compounds.
Preparation?of?the?chromophore : 4-Chloro-2-(trifluoromethyl)benzenamme?and 4-Chloro-1-nitro-2-(trifluoromethyl)benzene? reduction.
General DescriptionFourier-transform (FT) infrared and FT-Raman spectra of 4-chloro-2-(trifluoromethyl) aniline has been studied.

887144-94-7

106-47-8

445-03-4

The general procedure for synthesizing 2-amino-5-chlorobenzotrifluoride from 1-(trifluoromethyl)-1,2-phenyliodonyl-3(1H)-one and 4-chloroaniline is as follows: in this embodiment, p-chloroaniline was used as the aromatic amine, and the rest of the reaction and post-processing steps were the same as in Example 28. The specific reaction conditions were as follows: 1-(trifluoromethyl)-1,2-phenyliodono-3(1H)-one (0.5 mmol, 1.0 eq.), 4-chloroaniline (1.5 mmol, 3.0 eq.), nickel hydroxide (10 μmol), and potassium carbonate (1.5 mmol, 3.0 eq.) were dissolved in DMSO (2 mL), and the reaction was carried out for 2 hr. at 35 °C. After the reaction was completed, the product was isolated and purified according to the post-processing procedure in Example 1.

References[1] Organic Letters, 2018, vol. 20, # 13, p. 3732 - 3735
[2] Patent: CN108503552, 2018, A. Location in patent: Paragraph 0190-0194
[3] Organic Letters, 2014, vol. 16, # 6, p. 1768 - 1771

2-Amino-5-chlorobenzotrifluoride Preparation Products And Raw materials

Raw materialsSodium chloride-->Chlorine-->Benzotrifluoride-->3-Chlorobenzotrifluoride-->1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one-->5-Chloro-2-nitrobenzotrifluoride-->Trifluoromethyl iodide-->4-Chloroaniline-->Potassium carbonate-->NICKEL(II) HYDROXIDE
Preparation Products2-Amino-5-fluorobenzotrifluoride-->Tracid Red 2bs-->2-Aminobenzotrifluoride

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