Skip to Content
Merck
All Photos(1)

Key Documents

View All Documentation

578568

Sigma-Aldrich

2-Chloro-4-(trifluoromethyl)aniline

97%

Synonym(s):

4-Amino-3-chlorobenzotrifluoride

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
ClC6H3(CF3)NH2
CAS Number:
39885-50-2
Molecular Weight:
195.57
EC Number:
254-674-8
MDL number:
MFCD00042563
UNSPSC Code:
12352100
PubChem Substance ID:
24880935
NACRES:
NA.22

Assay

97%

refractive index

n20/D 1.5030 (lit.)

bp

214-218 °C (lit.)

density

1.4160 g/mL at 25 °C (lit.)

functional group

chloro
fluoro

SMILES string

Nc1ccc(cc1Cl)C(F)(F)F

InChI

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

InChI key

MBBUTABXEITVNY-UHFFFAOYSA-N

Looking for similar products? Visit Product Comparison Guide

Pictograms

Skull and crossbonesEnvironment
GHS06,GHS09

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Acute Tox. 4 Inhalation - Aquatic Acute 1 - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

217.4 °F - closed cup

Flash Point(C)

103 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
05321BJ
10922TC
13314JE

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

T Karthick et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 107, 72-81 (2013-02-19)
In this work, the vibrational characteristics of 2-chloro-5-(trifluoromethyl) aniline have been investigated and both the experimental and theoretical vibrational data indicate the presence of various functional groups within the title molecule. The influence of chlorine substituent on the vibrational wavenumbers
G B Scarfe et al.
Xenobiotica; the fate of foreign compounds in biological systems, 29(1), 77-91 (1999-03-17)
1. The metabolism and urinary excretion of 2-chloro-4-trifluoromethylaniline has been studied in the rat using 19F-NMR spectroscopy and directly coupled HPLC-NMR-MS methods. The compound was dosed to three male Sprague-Dawley rats (50 mg kg(-1) i.p.) and urine collected over 0-8

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service