All Photos(2)
Synonym(s):
4-(1,1-Dimethylethyl)benzoyl chloride, 4-tert-Butylbenzoic acid chloride, p-tert-Butylbenzoyl chloride
Linear Formula:
(CH3)3CC6H4COCl
CAS Number:
Molecular Weight:
196.67
Beilstein:
775793
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
Assay
98%
form
liquid
refractive index
n20/D 1.536 (lit.)
bp
135 °C/20 mmHg (lit.)
density
1.007 g/mL at 25 °C (lit.)
SMILES string
CC(C)(C)c1ccc(cc1)C(Cl)=O
InChI
1S/C11H13ClO/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3
InChI key
WNLMYNASWOULQY-UHFFFAOYSA-N
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General description
AlCl3 promoted Friedel-Crafts acylation of 4-tert-butylbenzoyl chloride with mesitylene was investigated.
Application
4-tert-Butylbenzoyl chloride was used in the synthesis of 9,9′-spirobifluorene-bridged bipolar systems containing 1,3,4-oxadiazole-conjugated oligoaryl and triaryllamine moieties. It was also used in the preparation of 2-(4-tert-butylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Dam. 1 - Skin Corr. 1B
WGK
WGK 3
Flash Point(F)
188.6 °F
Flash Point(C)
87 °C
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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Yuh-Yih Chien et al.
Chemical communications (Cambridge, England), (23)(23), 2874-2875 (2002-12-14)
Some 9,9'-spirobifluorene-bridged bipolar systems 1-3 containing 1,3,4-oxadiazole-conjugated oligoaryl and triarylamine moieties have been synthesized, in which 1 exhibits remarkable solvent-polarity dependent fluorescence properties due to a highly efficient photoinduced electron transfer reaction.
Statistical copolymers with side-chain hole and electron transport groups for single-layer electroluminescent device applications.
Jiang X, et al.
Chemistry of Materials, 12(9), 2542-2549 (2000)
Zhiliang Huang et al.
Organic & biomolecular chemistry, 11(11), 1810-1814 (2013-02-08)
AlCl(3) promoted Friedel-Crafts acylation between 4-tert-butylbenzoyl chloride and mesitylene was investigated. The donor-acceptor complex was observed as the major species. Kinetic investigation demonstrated that the reaction was first-order on the donor-acceptor complex and zero-order on ArH, suggesting that the donor-acceptor
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