3972-56-3

Basic information

• Product Name: 1-Chloro-4-(1,1-dimethylethyl)benzene
• Synonyms: 4-Chloro-tert-butylbenzene;4-tert-Butyl-chlorobenzene;Benzene, 1-chloro-4-(1,1-dimethylethyl)-;Benzene, 1-tert-butyl-4-chloro-;p-Chloro-tert-butylbenzene;p-tert-Butylchlorobenzene;1-Chloro-4-(1,1-dimethylethyl)benzene;1-TERT-BUTYL-4-CHLOROBENZENE
• CAS NO: 3972-56-3
• Molecular Formula: C₁₀H₁₃Cl
• Molecular Weight: 168.66
• EINECS: 223-598-7
• Product Categories: Benzene derivates
• Mol File: 3972-56-3.mol
• Article Data: 33

Chemical Properties

• Melting Point: 36°C (estimate)
• Boiling Point: 216 °C
• Flash Point: 23 °C
• Appearance: /
• Density: 1.01
• Vapor Pressure: 0.271mmHg at 25°C
• Refractive Index: 1.5123
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 1-Chloro-4-(1,1-dimethylethyl)benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Chloro-4-(1,1-dimethylethyl)benzene(3972-56-3)
• EPA Substance Registry System: 1-Chloro-4-(1,1-dimethylethyl)benzene(3972-56-3)

Safety Data

• Hazardous Substances Data: 3972-56-3(Hazardous Substances Data)

Usage

Synthesis

The synthesis method is taking chlorobenzene and chloro-2-methylpropane as raw materials to react under catalysis of complex acid HAlCl4 to prepare 1-tert-Butyl-4-chlorobenzene.

InChI:InChI=1/C10H13Cl/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3

Upstream product

• 98-54-4 para-tert-butylphenol 
• 3972-65-4 1-bromo-4-tert-butylbenzene 
• 5421-53-4 4,4'-Di-tert-butyldiphenyliodonium chloride 
• 15512-06-8 3,6-di-tert-butylbenzene-1,2-diol 
• 108-90-7 chlorobenzene 
• 1710-98-1 p-tert-butyl benzoyl chloride 
• 544-16-1 n-Butyl nitrite 
• 769-92-6 4-tert-Butylaniline 
• 3282-30-2 pivaloyl chloride 
• 106-39-8 bromochlorobenzene 
• 677-22-5 tert-butylmagnesium chloride 
• 52436-75-6 (4-tert-butylphenyl)diazonium tetrafluoroborate 
• 98-73-7 4-(1,1-dimethylethyl)benzoic acid 
• 35779-04-5 1-tert-butyl-4-iodobenzene 

Downstream Products

• 18412-68-5 (4-tert-butylphenyl)trimethylsilane 
• 13099-56-4 2-(4-chlorophenyl)-2-methyl-1-chloropropane 
• 17886-89-4 Trichlor-<4-tert-butyl-phenyl>-silan 
• 1127217-29-1 2-[4-(1,1-dimethylethyl)phenyl]benzo[b]thiophene 
• 1276033-57-8 2-(3-tert-butylphenyl)benzothiophene 
• 29778-26-5 [(4-tert-butylphenyl)ethynyl]benzene 
• 29778-25-4 1-(1,1-dimethylethyl)-3-(2-phenylethynyl)benzene 
• 214360-66-4 2-(4-tert-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
• 81561-77-5 1-[4-(1,1-dimethylethyl)phenyl]propan-2-one 
• 769-92-6 4-tert-Butylaniline 
• 4210-32-6 4-tert-butyl benzonitrile 
• 939-97-9 4-tert-Butylbenzaldehyde 
• 114467-73-1 1-(difluoromethyl)-4-(1,1-dimethylethyl)benzene 
• 1625-92-9 4-tert-butylbiphenyl 

Relevant articles and documents

Photochemical Sandmeyer-type Halogenation of Arenediazonium Salts

Trihalide salts were found to efficiently promote photochemical dediazotizing halogenations of diazonium salts. In contrast to classical Sandmeyer reactions, no metal catalysts are required to achieve high yields and outstanding selectivities for halogena

Ligand-free nickel-catalyzed Kumada couplings of aryl bromides with tert-butyl Grignard reagents

A ligand-free nickel-catalyzed Kumada cross-coupling of aryl bromides and tert-butyl Grignard reagents led to the formation of a series of tert-butyl aryls in moderate to good yields, excellent tBu/iBu ratios, and good functional group compatibility. A radical coupling process is indicated and a mechanism with a Ni(I)-Ni(III) catalytic cycle is proposed.

Iron(III)-mediated photocatalytic selective substitution of aryl bromine by chlorine with high chloride utilization efficiency

An iron(III)-mediated photocatalytic method for the conversion of aryl, heteroaryl and polycyclic aromatic bromides to the corresponding chlorides with high selectivity has been achieved successfully. The mild reaction conditions and high chloride utilization efficiency promise a bright future for chlorination reactions. The Royal Society of Chemistry 2014.