T63703
α,α,α-Trifluorotoluene
≥99%
Synonym(s):
Benzotrifluoride
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About This Item
Linear Formula:
C6H5CF3
CAS Number:
Molecular Weight:
146.11
Beilstein:
1906908
EC Number:
MDL number:
UNSPSC Code:
12352002
PubChem Substance ID:
NACRES:
NA.21
Assay:
≥99%
bp:
102 °C (lit.)
vapor pressure:
38.83 mmHg
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Recommended Products
vapor density
5.04 (vs air)
Quality Level
vapor pressure
38.83 mmHg
Assay
≥99%
form
liquid
expl. lim.
0.34-6.3 %
refractive index
n20/D 1.414 (lit.)
bp
102 °C (lit.)
mp
−29 °C (lit.)
density
1.19 g/mL at 20 °C (lit.)
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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Related Categories
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Aquatic Chronic 2 - Flam. Liq. 2 - STOT RE 2
Storage Class Code
3 - Flammable liquids
WGK
WGK 1
Flash Point(F)
46.4 °F - closed cup
Flash Point(C)
8 °C - closed cup
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Oxidative trifluoromethylation of arylboronates with shelf-stable potassium (trifluoromethyl)trimethoxyborate.
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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)
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
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
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