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Merck
CN

157120

4-tert-Butylbenzoyl chloride

98%

Synonym(s):

4-(1,1-Dimethylethyl)benzoyl chloride, 4-tert-Butylbenzoic acid chloride, p-tert-Butylbenzoyl chloride

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About This Item

Linear Formula:
(CH3)3CC6H4COCl
CAS Number:
1710-98-1
Molecular Weight:
196.67
Beilstein:
775793
EC Number:
216-973-1
MDL number:
MFCD00000695
UNSPSC Code:
12352100
PubChem Substance ID:
24849656
NACRES:
NA.22

Key Documents

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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.)

functional group

acyl chloride

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.

Pictograms

Corrosion
GHS05

Signal Word

Danger

Hazard Statements

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

188.6 °F - closed cup

Flash Point(C)

87 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
0000436066
0000436066
0000436086
0000436086
0000428337

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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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