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551406

Sigma-Aldrich

α,α,α-Trifluorotoluene solution

NMR reference standard, 0.05% in benzene-d6 (99.6 atom % D)

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:
24879222
NACRES:
NA.12
Pricing and availability is not currently available.

grade

NMR reference standard

Quality Level

200

Assay

99% (CP)

concentration

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

technique(s)

NMR: suitable

NMR tube size

5 mm × 7 in.
5 mm × 8 in.

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)

12.0 °F - closed cup

Flash Point(C)

-11.11 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

EU REACH Annex XVII (Restriction List)

CAS No.

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Certificates of Analysis (COA)

Lot/Batch Number
MBBC8707
MBBC6299
MBBC1585
MBBB3999V
MBBB3326V

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[Hygienic standardization of benzotrifluoride level in reservoir water].
V I Antonova et al.
Gigiena i sanitariia, (2)(2), 86-87 (1985-02-01)
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
Hidetoshi Yamada et al.
Carbohydrate research, 337(7), 581-585 (2002-03-23)
A glycosylation reaction induced by copper(II) trifluoromethanesulfonate is described. Using benzotrifluoride as the reaction solvent, five kinds of glycosyl donors, a glucosyl chloride, a fluoride, a trichloroacetimidate, a 1-O-acetyl compound, and a lactol were activated to give the corresponding glucosides.
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
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