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365858

4-Iodobenzotrifluoride

97%

Synonym(s):

4-Iodo-α,α,α-trifluorotoluene

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1 g

Available to ship TODAYfromMILWAUKEE

$40.80
$30.60
5 g

Available to ship TODAYfromMILWAUKEE

$103.00
$77.25

About This Item

Linear Formula:
IC6H4CF3
CAS Number:
Molecular Weight:
272.01
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
207-234-4
MDL number:
Assay:
97%
Form:
liquid

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Quality Segment

assay

97%

form

liquid

refractive index

n20/D 1.516 (lit.)

bp

185-186 °C/745 mmHg (lit.)

mp

−8.33 °C (lit.)

density

1.851 g/mL at 25 °C (lit.)

functional group

fluoro, iodo

SMILES string

FC(F)(F)c1ccc(I)cc1

InChI

1S/C7H4F3I/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H

InChI key

SKGRFPGOGCHDPC-UHFFFAOYSA-N

General description

4-Iodobenzotrifluoride undergoes aminocarbonylation in DMF using phosphoryl chloride to give N,N-dimethyl-(4-trifluoromethyl)benzamide.[1] Mechanism of the copper-free Sonogashira cross-coupling reaction of 4-iodobenzotrifluoride with differently para-substituted phenylacetylenes has been investigated.

Application

4-Iodobenzotrifluoride may be employed as substrate with electron-deficient aromatic ring, during Mizoroki-Heck reaction with acrylic acid, to afford 4-trifluoromethylcinnnamic acid.[2]

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This Item
249475206563196681
assay

97%

assay

97%

assay

98%

assay

99%

bp

185-186 °C/745 mmHg (lit.)

bp

188-190 °C (lit.), 78-79 °C/16 mmHg (lit.)

bp

82-82.5 °C/25 mmHg (lit.)

bp

80-81 °C/20 mmHg (lit.)

refractive index

n20/D 1.516 (lit.)

refractive index

n20/D 1.476 (lit.)

refractive index

n20/D 1.517 (lit.)

refractive index

n20/D 1.4583 (lit.)

form

liquid

form

liquid

form

-

form

solid

density

1.851 g/mL at 25 °C (lit.)

density

1.404 g/mL at 25 °C (lit.)

density

1.887 g/mL at 25 °C (lit.)

density

1.278 g/mL at 25 °C (lit.)

mp

−8.33 °C (lit.)

mp

-

mp

-

mp

39-41 °C (lit.)


pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

156.2 °F - closed cup

flash_point_c

69 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter



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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/418/501/product-dating-information-06-25-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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