Chloromethyl isocyanate

Base Information

• Chemical Name: Chloromethyl isocyanate
• CAS No.: 7093-91-6
• Molecular Formula: C2H2ClNO
• Molecular Weight: 91.497
• European Community (EC) Number: 958-880-5
• DSSTox Substance ID: DTXSID00503647
• Nikkaji Number: J208.255A
• Mol file: 7093-91-6.mol

Synonyms:CHLOROMETHYL ISOCYANATE;Chloro(isocyanato)methane;7093-91-6;Methane, chloroisocyanato-;chloromethylisocyanate;Chloro-isocyanato-methane;DTXSID00503647;XKQTZYDZYSXGBD-UHFFFAOYSA-N;AKOS006282595;EN300-4274871

Chemical Property of Chloromethyl isocyanate

Chemical Property:

• Boiling Point: 80-81 °C
• PSA: 29.43000
• Density: 1.21±0.1 g/cm3(Predicted)
• LogP: 0.51850
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 90.9824914
• Heavy Atom Count: 5
• Complexity: 56.7

Purity/Quality:

99% ^*data from raw suppliers

CHLOROMETHYL ISOCYANATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(N=C=O)Cl

Technology Process of Chloromethyl isocyanate

There total 5 articles about Chloromethyl isocyanate 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:

chloroacetyl azide (61727-66-0) → chloromethyl isocyanate (7093-91-6)

Guidance literature:

In acetonitrile; xylene; at 79.9 ℃; Kinetics; Thermodynamic data; decomposition, ΔS(excit.);

Reference yield:

chloroacetyl bromide (15018-06-1) → chloromethyl isocyanate (7093-91-6)

Guidance literature:

With sodium azide; toluene; at 70 - 80 ℃;

Reference yield:

chloroacetyl chloride (79-04-9) → chloromethyl isocyanate (7093-91-6)

Guidance literature:

With sodium azide; dipentyl ether;

upstream raw materials:

chloroacetyl bromide

chloroacetyl chloride

Chloromethylcarbaminsaeurechlorid

chloroacetyl azide

Downstream raw materials:

(Methoxycarbonylamino-methyl)-tris-(4-methoxy-phenyl)-phosphonium; chloride

Isocyanatomethyl-tris-(4-methoxy-phenyl)-phosphonium; chloride

diphenyl(phenylaminocarbamoylmethyl)phosphine oxide

(N-carbomethoxylaminomethyl)triphenylphosphonium chloride