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Merck
CN

217727

4-Chloro-2-(trifluoromethyl)aniline

97%

Synonym(s):

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

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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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Product Name

4-Chloro-2-(trifluoromethyl)aniline, 97%

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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Application

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

General description

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

pictograms

Health hazardExclamation mark
GHS08,GHS07

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

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCV0646
MKCS5837
MKCQ6095
MKCN5028
MKCN0799

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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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