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736120

Supelco

α,α,α-Trifluorotoluene solution

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:
98-08-8
Molecular Weight:
146.11
EC Number:
214-061-8
MDL number:
MFCD00000372
UNSPSC Code:
12142201
PubChem Substance ID:
329765085
NACRES:
NA.24

grade

NMR reference standard
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

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.

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)

12.2 °F

Flash Point(C)

-11 °C

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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α,α,α-Trifluorotoluene anhydrous, ≥99%

Sigma-Aldrich

547948

α,α,α-Trifluorotoluene

Chloroform solution NMR reference standard, 1% in acetone-d6 (99.9 atom % D)

Supelco

487163

Chloroform solution

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)
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