Skip to Content
Merck
All Photos(1)

Key Documents

551406

Sigma-Aldrich

α,α,α-Trifluorotoluene solution

NMR reference standard, 0.05% in benzene-d6 (99.6 atom % D)

Synonym(s):

Benzotrifluoride

Sign Into View Organizational & Contract Pricing


About This Item

Linear Formula:
C6H5CF3
CAS Number:
Molecular Weight:
146.11
EC Number:
MDL number:
UNSPSC Code:
12142201
PubChem Substance ID:
NACRES:
NA.12

grade

NMR reference standard

Assay

99% (CP)

concentration

0.05% in benzene-d6 (99.6 atom % D)

technique(s)

NMR: suitable

NMR tube size

5 mm × 7 in.
5 mm × 8 in.

SMILES string

FC(F)(F)c1ccccc1

InChI

1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H

InChI key

GETTZEONDQJALK-UHFFFAOYSA-N

Looking for similar products? Visit Product Comparison Guide

Features and Benefits

19F sensitivity

Quantity

5 mm O.D. tube contains 0.700 mL.

Signal Word

Danger

Hazard Classifications

Aquatic Chronic 3 - Asp. Tox. 1 - Carc. 1A - Eye Irrit. 2 - Flam. Liq. 2 - Muta. 1B - Skin Irrit. 2 - STOT RE 1

Target Organs

Blood

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

12.0 °F - closed cup

Flash Point(C)

-11.11 °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

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.

Already Own This Product?

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

Visit the Document Library

R A Yadav et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 64(2), 454-463 (2006-01-18)
Force field calculations have been carried out for 2-amino-5-chloro- and 2-amino-5-bromo-benzotrifluorides using the earlier (Ref. of this article) reported IR and Raman spectra. As the frequencies of the corresponding modes for the C-Br and the C-Cl groups do not differ
Tao Tang et al.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, 877(5-6), 507-512 (2009-01-24)
Eighteen samples of commercially available Chinese beer were analyzed in order to determine the content of biogenic amines. The method involves pre-column derivatization of the amines with 4-chloro-3,5-dinitrobenzotrifluoride (CNBF) and subsequent analysis by RP-HPLC (reversed phase-high performance liquid chromatography) with
Oxidative trifluoromethylation of arylboronates with shelf-stable potassium (trifluoromethyl)trimethoxyborate.
Bilal A Khan et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 18(6), 1577-1581 (2012-01-13)
C Yost et al.
Applied occupational and environmental hygiene, 15(1), 165-170 (2000-03-11)
Three solvents (OXSOL 10, monochlorotoluene or mixed isomers of 1- chloro-2-methyl benzene and 1-chloro-4-methyl benzene; OXSOL 100, parachlorobenzotrifluoride or 1-chloro-4-(trifluoromethyl) benzene; and OXSOL 2000, benzotrifluoride or trifluoromethyl benzene) produced by Occidental Chemical Corporation (Niagara Falls, NY) were considered as candidates
Studies on the mutagenic activity of benzotrifluoride and twelve derivatives in microbial short-term assays.
G Mazza et al.
Il Farmaco; edizione pratica, 41(7), 215-225 (1986-07-01)

Articles

Sigma-Aldrich.com provides an informational article regarding the use of stable, labeled isotopes as NMR reference standards.

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