1-(Chloromethyl)-4-fluoro-2-isocyanatobenzene

Base Information

• Chemical Name: 1-(Chloromethyl)-4-fluoro-2-isocyanatobenzene
• CAS No.: 67098-97-9
• Molecular Formula: C8H5ClFNO
• Molecular Weight: 185.585
• European Community (EC) Number: 266-568-9
• DSSTox Substance ID: DTXSID10986124
• Nikkaji Number: J310.195I
• Mol file: 67098-97-9.mol

Synonyms:1-(Chloromethyl)-4-fluoro-2-isocyanatobenzene;67098-97-9;EINECS 266-568-9;C8H5ClFNO;Benzene,1-(chloromethyl)-4-fluoro-2-isocyanato-;C8-H5-Cl-F-N-O;SCHEMBL10882133;DTXSID10986124;MFCD11052964;AKOS006309997;2-Chloromethyl-5-fluoro-phenylisocyanate;1-(Chloromethyl)-4-Fluoro-2-Isocyanato-Benzene

Chemical Property of 1-(Chloromethyl)-4-fluoro-2-isocyanatobenzene

Chemical Property:

• Vapor Pressure: 0.00746mmHg at 25°C
• Refractive Index: 1.527
• Boiling Point: 268.9 °C at 760 mmHg
• Flash Point: 116.5 °C
• PSA: 29.43000
• Density: 1.26 g/cm³
• LogP: 2.53180
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 185.0043696
• Heavy Atom Count: 12
• Complexity: 194

Purity/Quality:

99% ^*data from raw suppliers

SG000671:1-Chloromethyl-4-fluoro-2-isocyanato-benzene 98 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)N=C=O)CCl

Technology Process of 1-(Chloromethyl)-4-fluoro-2-isocyanatobenzene

There total 1 articles about 1-(Chloromethyl)-4-fluoro-2-isocyanatobenzene 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:

→ 1-(chloromethyl)-4-fluoro-2-isocyanatobenzene (67098-97-9)

Guidance literature:

/BRN= 936691/, Cl2/hν;

DOI:10.1055/s-1978-24752

Refernces