2-Chloro-1-isocyanato-3-methylbenzene

Base Information

• Chemical Name: 2-Chloro-1-isocyanato-3-methylbenzene
• CAS No.: 88330-64-7
• Molecular Formula: C8H6ClNO
• Molecular Weight: 167.59200
• DSSTox Substance ID: DTXSID10521630

Synonyms:2-chloro-1-isocyanato-3-methylbenzene;88330-64-7;Benzene, 2-chloro-1-isocyanato-3-methyl-;SCHEMBL3546178;DTXSID10521630;DXYBXUDLZCMXCD-UHFFFAOYSA-N;2-chloro-3-methylphenyl isocyanate;AKOS017515367;EN300-157549

Chemical Property of 2-Chloro-1-isocyanato-3-methylbenzene

Chemical Property:

• Boiling Point: 229.2±20.0 °C(Predicted)
• PSA: 29.43000
• Density: 1.17±0.1 g/cm3(Predicted)
• LogP: 2.61570
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 167.0137915
• Heavy Atom Count: 11
• Complexity: 177

Purity/Quality:

2-chloro-1-isocyanato-3-methylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-1-isocyanato-3-methylbenzene

There total 1 articles about 2-Chloro-1-isocyanato-3-methylbenzene 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:

→ 2-Chloro-3-methylphenyl isocyanate (88330-64-7)

Guidance literature:

Reference yield: 37.0%

4-((6,7-dimethoxyquinolin-4-yl)oxy)aniline (190728-25-7) + 2-Chloro-3-methylphenyl isocyanate (88330-64-7) → N-(2-Chloro-3-methylphenyl)-N'-{4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}urea

Guidance literature:

In toluene;

Reference yield:

1-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)ethanol (86354-10-1) + 2-Chloro-3-methylphenyl isocyanate (88330-64-7) → (2-Chloro-3-methyl-phenyl)-carbamic acid 1-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-ethyl ester (88330-61-4)

Guidance literature:

With stannous octoate; In dichloromethane; for 6h; Heating;

Downstream raw materials:

(2-Chloro-3-methyl-phenyl)-carbamic acid 3-methoxycarbonylamino-phenyl ester

(2-Chloro-3-methyl-phenyl)-carbamic acid 1-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-ethyl ester

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