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217727

Sigma-Aldrich

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:
Molecular Weight:
195.57
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
form:
liquid
Assay:
97%

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.)

functional group

chloro
fluoro

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.

Pictograms

Health hazardExclamation mark

Signal Word

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 Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

203.0 °F - closed cup

Flash Point(C)

95 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

217727-BULK:
217727-25G:
217727-VAR:
217727-5G:


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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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