527785
4-tert-Butylbenzonitrile
97%
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About This Item
Linear Formula:
(CH3)3CC6H4CN
CAS Number:
Molecular Weight:
159.23
UNSPSC Code:
12352100
PubChem Substance ID:
EC Number:
224-137-2
MDL number:
InChI key
IIZURLNRIMKEDL-UHFFFAOYSA-N
InChI
1S/C11H13N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,1-3H3
SMILES string
CC(C)(C)c1ccc(cc1)C#N
assay
97%
refractive index
n20/D 1.518 (lit.)
bp
258 °C (lit.)
density
0.94 g/mL at 25 °C (lit.)
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.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral
Storage Class
10 - Combustible liquids
wgk
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
Regulatory Information
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Allylic rearrangement of cyanophosphate. II Synthesis of ?-cyano-a,?-unsaturated ketones.
Kurihara T, et al.
Chemical & Pharmaceutical Bulletin, 34(7), 2747-2753 (1986)
Synthesis of 1, 3-connected polyarylmethanes.
Rajca A.
The Journal of Organic Chemistry, 56(7), 2557-2563 (1991)
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