3972-55-2

Basic information

• Product Name: 1-tert-butyl-3-chlorobenzene
• Synonyms: m-Tert-butyl chlorobenzene
• CAS NO: 3972-55-2
• Molecular Formula: C₁₀H₁₃Cl
• Molecular Weight: 168.6632
• Mol File: 3972-55-2.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 194.2°C at 760 mmHg
• Flash Point: 82.9°C
• Density: 1.003g/cm³
• Vapor Pressure: 0.625mmHg at 25°C
• Refractive Index: 1.501
• CAS DataBase Reference: 1-tert-butyl-3-chlorobenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-tert-butyl-3-chlorobenzene(3972-55-2)
• EPA Substance Registry System: 1-tert-butyl-3-chlorobenzene(3972-55-2)

Safety Data

• Hazardous Substances Data: 3972-55-2(Hazardous Substances Data)

Usage

Physical state

Colorless liquid

Odor

Faint aromatic

Solubility

Insoluble in water

Uses

Intermediate in the synthesis of various organic compounds, production of dyes, agrochemicals, and pharmaceuticals, common solvent in the chemical industry

Health hazards

Skin irritant, respiratory irritant, central nervous system depression if inhaled or ingested in large amounts

Safety precautions

Handle with care, use appropriate safety measures when working with it

Upstream product

• 42265-67-8 4-t-butyl-2-chloroaniline 
• 253185-03-4 tert-butylbenzene 
• 7446-70-0 aluminium trichloride 
• 507-20-0 tertiary butyl chloride 
• 108-90-7 chlorobenzene 
• 75-65-0 tert-butyl alcohol 
• 7782-50-5 chlorine 
• 7705-08-0 iron(III) chloride 
• 64-19-7 acetic acid 
• 5369-19-7 3-tert-butylaniline 
• 99-02-5 3'-Chloroacetophenone 
• 31002-87-6 2-(3-chlorophenyl)propan-2-ol 
• 40473-10-7 2-chloro-2-(3'-chlorophenyl)propane 
• 75-24-1 trimethylaluminum 

Downstream Products

• 18412-67-4 (3-(tert-butyl)phenyl)trimethylsilane 
• 17897-68-6 triethyl-(3-tert-butyl-phenyl)-silane 
• 103040-31-9 1-tert-butyl-5-chloro-2,4-dinitro-benzene 
• 7498-54-6 3-t-Butylbenzoic acid 
• 90876-17-8 β-<3-Chlor-phenyl>-iso-butylchlorid 
• 2359-09-3 5-t-butylisophthalic acid 
• 93484-09-4 β-(3-Chlorphenyl)-isovaleraldehyd 

Relevant articles and documents

Synthesis and Bowl-in-Bowl Assembly of a Geodesic Phenylene Bowl

A phenylene multiring with a corannulenoidal skeleton was synthesized. Geodesic constraints over 20 phenylene panels resulted in its nanometer-sized, bowl-shaped molecular structure, which was unequivocally revealed by crystallographic analysis. The crystal structure also showed the presence of a bowl-in-bowl dimeric assembly, which was driven by entropic factors in solution.

PROCESS FOR HALOGENATION OF BENZENE AND BENZENE DERIVATIVES

In a process of halogenation of benzene or benzene derivatives, di-substituted halobenzene derivatives having para-aromatic compounds or tri-substituted halobenzene derivatives having 1,2,4-substituted aromatic compounds are selectively produced. In halogenation of benzene or benzene derivatives, a fluorine-containing zeolite catalyst such as L-type zeolite, or a zeolite catalyst having the crystal size of at most 100 nm is used. The reaction is preferably effected in the presence of a solvent, and the solvent is preferably a halogenated compound.

Highly para-Selective Mono-Chlorination of Aromatic Compounds Under Mild Conditions by t-Butyl Hypochlorite in the Presence of Zeolites

t-Butyl hypochlorite supported on H(1+), Na(1+) faujasite X (zeolite X) produces para-selective monochlorination of alkyl-, phenyl-, and halobenzenes under mild conditions; for example, chlorobenzene in acetonitrile (at 40 deg C) is chlorinated in high yield of isolated product (92percent) to give dichlorobenzene with an isomer ratio 97percent para/3percent ortho.