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Merck
CN

736120

α,α,α-Trifluorotoluene solution

suitable for NMR (reference standard), 0.05% in benzene-d6 (99.6 atom % D), NMR tube size 5 mm × 8 in., NMR tube wall thickness 0.24 mm , ultra-thin wall

Synonym(s):

Benzotrifluoride

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About This Item

Linear Formula:
C6H5CF3
CAS Number:
Molecular Weight:
146.11
NACRES:
NA.24
PubChem Substance ID:
UNSPSC Code:
12142201
EC Number:
214-061-8
MDL number:
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Product Name

α,α,α-Trifluorotoluene solution, suitable for NMR (reference standard), 0.05% in benzene-d6 (99.6 atom % D), NMR tube size 5 mm × 8 in., NMR tube wall thickness 0.24 mm , ultra-thin wall

InChI key

GETTZEONDQJALK-UHFFFAOYSA-N

InChI

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

SMILES string

FC(F)(F)c1ccccc1

grade

analytical standard

concentration

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

technique(s)

NMR: suitable

NMR tube size

5 mm × 8 in.

NMR tube wall thickness

0.24 mm , ultra-thin wall

suitability

suitable for NMR (reference standard)

format

single component solution

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Features and Benefits

19F sensitivity

Preparation Note

5 mm O.D. tube contains 0.700 mL.

signalword

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

3 - Flammable liquids

wgk

WGK 3

flash_point_f

12.2 °F

flash_point_c

-11 °C

Regulatory Information

危险化学品
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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)
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
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
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

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