m-Chlorocumene

Base Information

• Chemical Name: m-Chlorocumene
• CAS No.: 7073-93-0
• Molecular Formula: C9H11 Cl
• Molecular Weight: 154.639
• European Community (EC) Number: 230-369-5
• DSSTox Substance ID: DTXSID3064560
• Nikkaji Number: J227.365I
• Wikidata: Q81991656
• Mol file: 7073-93-0.mol

Synonyms:m-Chlorocumene;7073-93-0;1-Chloro-3-(propan-2-yl)benzene;1-chloro-3-propan-2-ylbenzene;Benzene, 1-chloro-3-(1-methylethyl)-;3-Chloroisopropylbenzene;EINECS 230-369-5;1-chloro-3-isopropylbenzene;SCHEMBL254476;DTXSID3064560;1-Chloro-3-(1-methylethyl)benzene;AKOS023093740;BS-24510

Chemical Property of m-Chlorocumene

Chemical Property:

• Vapor Pressure: 1.26mmHg at 25°C
• Boiling Point: 179.6°C at 760 mmHg
• Flash Point: 70.6°C
• PSA: 0.00000
• Density: 1.021g/cm³
• LogP: 3.46340
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 154.0549280
• Heavy Atom Count: 10
• Complexity: 98.9

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC(=CC=C1)Cl

Technology Process of m-Chlorocumene

There total 11 articles about m-Chlorocumene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

dimethyldichlorotitanium(IV) (35739-70-9) + m-Chlorobenzaldehyde (587-04-2) → m-chlorocumene (7073-93-0)

Guidance literature:

In dichloromethane; at -30 ℃; for 3h;

Reference yield:

Isopropylbenzene (98-82-8) → 2-chlorocumene (2077-13-6) + m-chlorocumene (7073-93-0) + 1-chloro-4-isopropylbenzene (2621-46-7)

Guidance literature:

With chlorine; the fluorine-containing K-L-type zeolite; In 1,2-dichloro-ethane; at 40 - 80 ℃; for 2 - 3h; Product distribution / selectivity;

Reference yield:

3-chloro-α-methylstyrene (1712-71-6) → m-chlorocumene (7073-93-0)

Guidance literature:

With platinum on activated charcoal; ethanol; Hydrogenation;

DOI:10.1021/ja01542a062

upstream raw materials:

3-chloro-α-methylstyrene

propene

chlorobenzene

2-chlorocumene

Downstream raw materials:

m-i-propyl(trimethylsilyl)benzene

triethyl-(3-isopropyl-phenyl)-silane

3-Chlorostyrene

m-chlorophenylacetylene