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Sigma-Aldrich

4-Chloro-2-(trifluoromethyl)aniline

97%

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Synonym(s):
2-Amino-5-chlorobenzotrifluoride, 4-Chloro-α,α,α-trifluoro-o-toluidine
Linear Formula:
ClC6H3(CF3)NH2
CAS Number:
Molecular Weight:
195.57
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

97%

form

liquid

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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This Item
224936A45653A41607
4-(Trifluoromethyl)aniline 99%

224936

4-(Trifluoromethyl)aniline

2-(Trifluoromethyl)aniline 99%

A41607

2-(Trifluoromethyl)aniline

bp

66-67 °C/3 mmHg (lit.)

bp

83 °C/12 mmHg (lit.)

bp

-

bp

170-173 °C (lit.), 68 °C/15 mmHg (lit.)

density

1.386 g/mL at 25 °C (lit.)

density

1.283 g/mL at 25 °C (lit.)

density

-

density

1.282 g/mL at 25 °C (lit.)

storage temp.

2-8°C

storage temp.

-

storage temp.

-

storage temp.

-

refractive index

n20/D 1.507 (lit.)

refractive index

n20/D 1.483 (lit.)

refractive index

-

refractive index

n20/D 1.481 (lit.)

form

liquid

form

liquid

form

crystals

form

liquid

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.

pictograms

Exclamation markHealth hazard

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT RE 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 2

flash_point_f

203.0 °F - closed cup

flash_point_c

95 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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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)
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

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