217727

Sigma-Aldrich

4-Chloro-2-(trifluoromethyl)aniline

97%

Synonym(s):
4-Chloro-α,α,α-trifluoro-o-toluidine, 2-Amino-5-chlorobenzotrifluoride
Linear Formula:
ClC6H3(CF3)NH2
CAS Number:
Molecular Weight:
195.57
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22
Pricing and availability is not currently available.

Quality Level

assay

97%

refractive index

n20/D 1.507 (lit.)

bp

66-67 °C/3 mmHg (lit.)

density

1.386 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

Nc1ccc(Cl)cc1C(F)(F)F

InChI

1S/C7H5ClF3N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2

InChI key

CVINWVPRKDIGLL-UHFFFAOYSA-N

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General description

Fourier-transform (FT) infrared and FT-Raman spectra of 4-chloro-2-(trifluoromethyl) aniline has been studied.

Application

4-Chloro-2-(trifluoromethyl)aniline was used in the synthesis of 2-amino-5-chloro 3-(trifluoromethyl)benzenethiol.

Packaging

25 g in glass bottle

Pictograms

Exclamation markHealth hazard

Signal Word

Warning

Target Organs

Respiratory system

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

NONH for all modes of transport

WGK Germany

WGK 2

Flash Point(F)

203.0 °F - closed cup

Flash Point(C)

95 °C - closed cup

M Arivazhagan et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 86, 205-213 (2011-11-15)
The Fourier-transform infrared and FT-Raman spectra of 4-chloro-2-(trifluoromethyl) aniline (4C2TFA) were recorded in the region 4000-400 cm(-1) and 3500-50 cm(-1) respectively. Quantum chemical calculations of energies, geometrical structure and vibrational wavenumbers of 4C2TFA were carried out by density functional theory...
Synthesis of 2-amino-5-chloro-3-(trifluoromethyl) benzenethiol and conversion into 4H-1, 4-benzothiazines and their sulfones.
Thomas L, et al.
Journal of Fluorine Chemistry, 122(2), 207-213 (2003)

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