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Safety Information

T63703

Sigma-Aldrich

α,α,α-Trifluorotoluene

≥99%

Synonym(s):

Benzotrifluoride

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About This Item

Linear Formula:
C6H5CF3
CAS Number:
98-08-8
Molecular Weight:
146.11
Beilstein:
1906908
EC Number:
202-635-0
MDL number:
MFCD00000372
UNSPSC Code:
12352002
PubChem Substance ID:
329826637
NACRES:
NA.21
Assay:
≥99%
bp:
102 °C (lit.)
vapor pressure:
38.83 mmHg

vapor density

5.04 (vs air)

Quality Level

200

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

H225,H373,H411

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
SHBS1907
SHBR8178
SHBQ9477
SHBP6881
SHBP4159

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Shota Tsukada et al.
Neuropharmacology, 48(4), 479-491 (2005-03-10)
Glutamate transporters rapidly take up synaptically released glutamate and maintain the glutamate concentration in the synaptic cleft at a low level. (2S, 3S)-3-[3-[4-(trifluoromethyl)benzoylamino]benzyloxy]aspartate (TFB-TBOA) is a novel glutamate transporter blocker that potently suppresses the activity of glial transporters. TFB-TBOA inhibited
[Hygienic standardization of benzotrifluoride level in reservoir water].
V I Antonova et al.
Gigiena i sanitariia, (2)(2), 86-87 (1985-02-01)
Bhawani Singh Rathore et al.
Bioorganic & medicinal chemistry, 14(16), 5678-5682 (2006-05-03)
7-Chloro-5-trifluoromethyl/7-fluoro/7-trifluoromethyl-4H-1,4-benzothiazines have been synthesized by 2-amino-5-fluoro/5-trifluoromethyl/5-chloro-3-trifluoromethyl benzenethiols condensed with beta-diketone/beta-ketoesters in the presence of DMSO involving oxidative cyclization. Pharmacological activities have also been included.
Eun Jin Cho et al.
Science (New York, N.Y.), 328(5986), 1679-1681 (2010-06-26)
The trifluoromethyl group can dramatically influence the properties of organic molecules, thereby increasing their applicability as pharmaceuticals, agrochemicals, or building blocks for organic materials. Despite the importance of this substituent, no general method exists for its installment onto functionalized aromatic
T Thriveni et al.
Environmental monitoring and assessment, 151(1-4), 9-18 (2008-04-04)
An electroanalytical method has been developed for the determination of the herbicides ethalfluralin[N-ethyl-N-(2-methyl-2-propenyl)-2,6-dinitro-4-(trifluoromethyl) bezenamine] and methalpropalin [N-(2-methyl-2-propenyl)-2, 6-dinitro-N-propyl-4 (trifluoromethyl) benzenamine] by differential pulse adsorptive stripping voltammetry (DP-AdSV) on a hanging mercury drop electrode (HMDE) with universal buffer as supporting electrolyte.
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