p-CYMENE, 3-CHLORO-

Base Information

• Chemical Name: p-CYMENE, 3-CHLORO-
• CAS No.: 4395-80-6
• Molecular Formula: C10H13Cl
• Molecular Weight: 168.666
• DSSTox Substance ID: DTXSID30195998
• Wikidata: Q83069080
• Mol file: 4395-80-6.mol

Synonyms:Thymol chloride;p-CYMENE, 3-CHLORO-;BRN 3235966;4395-80-6;Benzene, 2-chloro-4-methyl-1-(1-methylethyl)-;3-05-00-00956 (Beilstein Handbook Reference);chlorocymene;2-chloro-1-isopropyl-4-methylbenzene;SCHEMBL1911427;DTXSID30195998;TQP1212;2-chloro-1-isopropyl-4-methyl-benzene;LS-58942

Chemical Property of p-CYMENE, 3-CHLORO-

Chemical Property:

• Vapor Pressure: 0.205mmHg at 25°C
• Boiling Point: 216.5°C at 760 mmHg
• Flash Point: 86.2°C
• Density: 1.005g/cm³
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 168.0705781
• Heavy Atom Count: 11
• Complexity: 120

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C(C)C)Cl

Technology Process of p-CYMENE, 3-CHLORO-

There total 6 articles about p-CYMENE, 3-CHLORO- 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:

thymol (89-83-8) → 2-chloro-1-isopropyl-4-methyl-benzene (4395-80-6)

Guidance literature:

With phosphorus pentachloride;

DOI:10.1039/jr9340000848 DOI:10.1021/ja01857a004

Reference yield:

1-bromo-4-chloro-5-isopropyl-2-methyl-benzene → 2-chloro-1-isopropyl-4-methyl-benzene (4395-80-6)

Guidance literature:

With sodium hydroxide; zinc; at 200 ℃;

Reference yield:

→ 2-chloro-1-isopropyl-4-methyl-benzene (4395-80-6)

Guidance literature:

With iodine; beim Chlorieren;

upstream raw materials:

thymol

phosphorus pentachloride

Downstream raw materials:

1-chloro-5-methyl-2,4-dinitrobenzene

2-chloro-1-isopropyl-4-methyl-3,5-dinitro-benzene

1-chloro-2-isopropyl-5-methyl-4-nitro-benzene

2-chloro-4-methylbenzoic acid