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
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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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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C Yost et al.
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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
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Bilal A Khan et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 18(6), 1577-1581 (2012-01-13)
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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