4-Chloro-2-(trifluoromethyl)aniline

Name: 4-Chloro-2-(trifluoromethyl)aniline
Brand: ALDRICH
Price: 59.1 USD
Availability: InStock

97%

Synonym(s):

2-Amino-5-chlorobenzotrifluoride, 4-Chloro-α,α,α-trifluoro-o-toluidine

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25 G

$59.10

Estimated to ship onMarch 09, 2026Details

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About This Item

Linear Formula:

ClC₆H₃(CF₃)NH₂

CAS Number:

445-03-4

Molecular Weight:

195.57

NACRES:

NA.22

PubChem Substance ID:

24853029

UNSPSC Code:

12352100

EC Number:

207-151-3

MDL number:

MFCD00007841

Assay:

97%

Form:

liquid

Key Documents

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InChI key

CVINWVPRKDIGLL-UHFFFAOYSA-N

InChI

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

SMILES string

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

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.)

functional group

chloro, fluoro

storage temp.

2-8°C

Quality Level

100

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1 of 4

This Item	A45653	A41607	224936
Sigma-Aldrich 217727 4-Chloro-2-(trifluoromethyl)aniline	Sigma-Aldrich A45653 4-Chloro-3-(trifluoromethyl)aniline	Sigma-Aldrich A41607 2-(Trifluoromethyl)aniline	Sigma-Aldrich 224936 4-(Trifluoromethyl)aniline
assay 97%	assay 99%	assay 99%	assay 99%
Quality Level 100	Quality Level 100	Quality Level 100	Quality Level 200
bp 66-67 °C/3 mmHg (lit.)	bp -	bp 170-173 °C (lit.), 68 °C/15 mmHg (lit.)	bp 83 °C/12 mmHg (lit.)
refractive index n20/D 1.507 (lit.)	refractive index -	refractive index n20/D 1.481 (lit.)	refractive index n20/D 1.483 (lit.)
density 1.386 g/mL at 25 °C (lit.)	density -	density 1.282 g/mL at 25 °C (lit.)	density 1.283 g/mL at 25 °C (lit.)
form liquid	form crystals	form liquid	form liquid

General description

Fourier-transform (FT) infrared and FT-Raman spectra of 4-chloro-2-(trifluoromethyl) aniline has been studied[1].

Application

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

pictograms

GHS08,GHS07

signalword

Warning

hcodes

H302 + H312 + H332,H315,H319,H335,H373

pcodes

P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338 - P314

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

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)

Vibrational spectroscopic, first-order hyperpolarizability and HOMO, LUMO studies of 4-chloro-2-(trifluoromethyl) aniline based on DFT calculations.

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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