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Sigma-Aldrich

4-tert-Butylbenzonitrile

97%

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About This Item

Linear Formula:
(CH3)3CC6H4CN
CAS Number:
4210-32-6
Molecular Weight:
159.23
EC Number:
224-137-2
MDL number:
MFCD00075840
UNSPSC Code:
12352100
PubChem Substance ID:
24874646

assay

97%

refractive index

n20/D 1.518 (lit.)

bp

258 °C (lit.)

density

0.94 g/mL at 25 °C (lit.)

SMILES string

CC(C)(C)c1ccc(cc1)C#N

InChI

1S/C11H13N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,1-3H3

InChI key

IIZURLNRIMKEDL-UHFFFAOYSA-N

General description

4-tert-Butylbenzonitrile can be prepared from 4-tert-butyl-1,2-dihydrobenzene, via dehydrogenation.

Application

4-tert-Butylbenzonitrile may be used to synthesize 3-bromo-4′-tert-butylbenzophenone.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

10 - Combustible liquids

wgk_germany

WGK 2

flash_point_f

230.0 °F - closed cup

flash_point_c

110 °C - closed cup

ppe

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

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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Synthesis of 1, 3-connected polyarylmethanes.
Rajca A.
The Journal of Organic Chemistry, 56(7), 2557-2563 (1991)
Allylic rearrangement of cyanophosphate. II Synthesis of ?-cyano-a,?-unsaturated ketones.
Kurihara T, et al.
Chemical & Pharmaceutical Bulletin, 34(7), 2747-2753 (1986)

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