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547948

Sigma-Aldrich

α,α,α-Trifluorotoluene

anhydrous, ≥99%

Sinónimos:

Benzotrifluoride

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About This Item

Fórmula lineal:
C6H5CF3
Número de CAS:
98-08-8
Peso molecular:
146.11
Beilstein/REAXYS Number:
1906908
EC Number:
202-635-0
MDL number:
MFCD00000372
UNSPSC Code:
12352002
PubChem Substance ID:
57651484
NACRES:
NA.21
grade:
anhydrous
assay:
≥99%
technique(s):
NMR: suitable
bp:
102 °C (lit.)
vapor pressure:
38.83 mmHg
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grade

anhydrous

Quality Level

200

vapor density

5.04 (vs air)

vapor pressure

38.83 mmHg

assay

≥99%

form

liquid

expl. lim.

0.34-6.3 % (lit.)

technique(s)

NMR: suitable

impurities

≤0.001% water
water

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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General description

α,α,α-Trifluorotoluene (TFT) is a potential substitute solvent for reactions carried out in dichloromethane and related solvents. It is also applicable in fluorous synthesis as an organic/fluorous hybrid solvent.[1] TFT undergoes photocycloaddition with cyclopentene to form cyano-substituted tetracyclo[6.3.0.02,11.03,7]undec-9-enes.[2] The nuclear magnetic resonance spectral data of TFT has been reported.[3] The bimolecular rate constants of the aqueous phase reactions between sulfate and phosphate radicals with TFT have been determined by conventional flash-photolysis.[4]

Application

α,α,α-Trifluorotoluene may be used as an internal standard for 19F NMR spectroscopic determination of copper-catalyzed trifluoromethylation of alkenes.[5]

signalword

Danger

Hazard Classifications

Aquatic Chronic 2 - Flam. Liq. 2 - STOT RE 2

Storage Class

3 - Flammable liquids

wgk_germany

WGK 1

flash_point_f

46.4 °F - closed cup

flash_point_c

8 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificados de análisis (COA)

Lot/Batch Number
SHBS4250
SHBR9515
SHBR8546
SHBS2267
SHBQ9841

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The meta photocycloaddition of benzonitrile and a,a,a-trifluorotoluene to cyclopentene.
Osselton EM and Cornelisse J.
Tetrahedron Letters, 26(4), 527-530 (1985)
Copper-Catalyzed Trifluoromethylation-Initiated Radical 1,2-Aryl Migration in α,α-Diaryl Allylic Alcohols.
Liu X, et al.
Angewandte Chemie (International Edition in English), 125(27), 7100-7104 (2013)
α,α,α-Trifluorotoluene.
Ogawa A and Tsuchii K. <BR/>
e-EROS Encyclopedia of Reagents for Organic Synthesis. (2006)
Reaction of sulfate and phosphate radicals with α,α,α-trifluorotoluene.
Rosso JA, et al.
J. Chem. Soc. Perkin Trans. II, 2, 205-210 (1999)
Nuclear magnetic resonance spectral parameters of α,α,α-trifluorotoluene.
Kostelnik RJ, et al.
Canadian Journal of Chemistry, 47(18), 3313-3318 (1969)
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Questions

1–2 of 2 Questions  

  1. How can I determine the shelf life / expiration / retest date of this product?

    1 answer

    1. If this product has an expiration or retest date, it will be shown on the Certificate of Analysis (COA, CofA). If there is no retest or expiration date listed on the product's COA, we do not have suitable stability data to determine a shelf life. For these products, the only date on the COA will be the release date; a retest, expiration, or use-by-date will not be displayed.
      For all products, we recommend handling per defined conditions as printed in our product literature and website product descriptions. We recommend that products should be routinely inspected by customers to ensure they perform as expected.
      For products without retest or expiration dates, our standard warranty of 1 year from the date of shipment is applicable.
      For more information, please refer to the Product Dating Information document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/449/386/product-dating-information-mk.pdf

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  2. How is shipping temperature determined? And how is it related to the product storage temperature?

    1 answer

    1. Products may be shipped at a different temperature than the recommended long-term storage temperature. If the product quality is sensitive to short-term exposure to conditions other than the recommended long-term storage, it will be shipped on wet or dry-ice. If the product quality is NOT affected by short-term exposure to conditions other than the recommended long-term storage, it will be shipped at ambient temperature. As shipping routes are configured for minimum transit times, shipping at ambient temperature helps control shipping costs for our customers. For more information, please refer to the Storage and Transport Conditions document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/316/622/storage-transport-conditions-mk.pdf

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