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224944

Sigma-Aldrich

4-(Trifluoromethyl)benzaldehyde

98%

Synonym(s):

α,α,α-Trifluoro-p-tolualdehyde

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About This Item

Linear Formula:
CF3C6H4CHO
CAS Number:
Molecular Weight:
174.12
Beilstein:
1101680
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay

98%

form

liquid

refractive index

n20/D 1.463 (lit.)

bp

66-67 °C/13 mmHg (lit.)

density

1.275 g/mL at 25 °C (lit.)

functional group

aldehyde
fluoro

SMILES string

[H]C(=O)c1ccc(cc1)C(F)(F)F

InChI

1S/C8H5F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-5H

InChI key

BEOBZEOPTQQELP-UHFFFAOYSA-N

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Application


  • Correlation data of (Z)-1-thiosemicarbazide via spectroscopic methods and Density Functional Theory studies: Synthesis of (Z)-1-[4-(trifluoromethyl)benzylidene]thiosemicarbazide using 4-(trifluoromethyl)benzaldehyde in ethanol (UM Osman et al., 2019).

  • Transition-Metal-Free Trifluoromethylation of Aldehyde Derivatives with Sodium Trifluoromethanesulfinate: Investigates the direct C-H trifluoromethylation of benzaldehyde and other synthetic equivalents (Z Tan et al., 2017).

Other Notes

May form precipitate upon standing which does not affect use. Warm gently to redissolve solid.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

149.0 °F - closed cup

Flash Point(C)

65 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Peng Cao et al.
The Journal of organic chemistry, 72(17), 6628-6630 (2007-07-28)
In the presence of sodium hydrosulfite and a catalytic amount of AsPh3 and Fe(TCP)Cl, aldehydes react with ethyl diazoacetate to give the corresponding alpha,beta-unsaturated esters in high yields with excellent stereoselectivities (E/Z > 50/1).
Tetrahedron Asymmetry, 5, 411-411 (1994)
Journal of the American Chemical Society, 115, 8570-8570 (1993)
Tetrahedron, 49, 9613-9613 (1993)
Tetrahedron Letters, 34, 1925-1925 (1993)

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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