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411205

Sigma-Aldrich

4-tert-Butyliodobenzene

98%

Synonym(s):

1-tert-Butyl-4-iodobenzene

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About This Item

Linear Formula:
(CH3)3CC6H4I
CAS Number:
35779-04-5
Molecular Weight:
260.11
MDL number:
MFCD00052339
UNSPSC Code:
12352100
PubChem Substance ID:
24865734
NACRES:
NA.22

Assay

98%

form

liquid

refractive index

n20/D 1.57 (lit.)

bp

116-118 °C/9 mmHg (lit.)

density

1.468 g/mL at 25 °C (lit.)

SMILES string

CC(C)(C)c1ccc(I)cc1

InChI

1S/C10H13I/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3

InChI key

WQVIVQDHNKQWTM-UHFFFAOYSA-N

Related Categories

General description

4-tert-Butyliodobenzene is an electron-rich aryl iodide. Heck reaction between 2-methylprop-2-en-1-ol and 4-tert-butyliodobenzene catalyzed by ionic liquids has been studied. It participates in the one-pot Heck-reductive amination reaction pathway during the synthesis of fungicide fenpropimorph.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H319

Precautionary Statements

P305 + P351 + P338

Hazard Classifications

Eye Irrit. 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °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.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

411205-5G:4548173988559
411205-1G:4548173988542
411205-BULK:
411205-VAR:

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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One-pot multistep synthetic strategies for the production of fenpropimorph using an ionic liquid solvent.
Forsyth SA, et al.
Organic Process Research & Development, 10(1), 94-102 (2006)
Functionalised ionic liquids: synthesis of ionic liquids with tethered basic groups and their use in Heck and Knoevenagel reactions.
Forsyth SA, et al.
New. J. Chem., 34(4), 723-731 (2010)
Jungwoon Kim et al.
Molecules (Basel, Switzerland), 23(4) (2018-04-13)
Solution-processed organic light-emitting diodes (OLEDs) are attractive due to their low-cost, large area displays, and lighting features. Small molecules as well as polymers can be used as host materials within the solution-processed emitting layer. Herein, we report two 3,3'-bicarbazole-based host

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