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About This Item
Linear Formula:
(CH3)3CC6H4CN
CAS Number:
Molecular Weight:
159.23
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
Recommended Products
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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral
Storage Class Code
10 - Combustible liquids
WGK
WGK 2
Flash Point(F)
230.0 °F - closed cup
Flash Point(C)
110 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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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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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