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α,α,α-Trifluorotoluene solution

NMR reference standard, 0.05% in chloroform-d ("100%", 99.96 atom % D), NMR tube size 5 mm × 8 in.

Synonym(s):

Benzotrifluoride

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About This Item

Linear Formula:
C6H5CF3
CAS Number:
98-08-8
Molecular Weight:
146.11
EC Number:
212-742-4
MDL number:
MFCD00000372
UNSPSC Code:
12142201
PubChem Substance ID:
329766936
NACRES:
NA.24

grade

NMR reference standard
analytical standard

concentration

0.05% in chloroform-d ("100%", 99.96 atom % D)

technique(s)

NMR: suitable

NMR tube size

5 mm × 8 in.

format

single component solution

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

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Features and Benefits

19F sensitivity

Quantity

5 mm O.D. tube contains 0.700 mL.

Pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Carc. 2 - Eye Irrit. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 1 Oral - STOT SE 3

Target Organs

Central nervous system, Liver,Kidney

Storage Class Code

6.1D - Non-combustible acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

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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
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)
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
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)
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