1-Chloromethyl-2,4-diisocyanatobenzene

Base Information

• Chemical Name: 1-Chloromethyl-2,4-diisocyanatobenzene
• CAS No.: 51979-57-8
• Molecular Formula: C₉H₅ClN₂O₂
• Molecular Weight: 208.604
• Hs Code.: 2929109000
• European Community (EC) Number: 621-516-8
• DSSTox Substance ID: DTXSID00369846
• Nikkaji Number: J2.163.057H
• Mol file: 51979-57-8.mol

Synonyms:1-Chloromethyl-2,4-diisocyanatobenzene;51979-57-8;1-(chloromethyl)-2,4-diisocyanatobenzene;SCHEMBL78982;DTXSID00369846;AKOS015889177;FT-0640038;1-Chloromethyl-2,4-diisocyanatobenzene, 97%;4-CHLOROMETHYL-1,3-PHENYLENE DIISOCYANATE;4,4-DIMETHYL-5,5-DIPHENYLTETRATHIAFULVALENE

Chemical Property of 1-Chloromethyl-2,4-diisocyanatobenzene

Chemical Property:

• Vapor Pressure: 0.00206mmHg at 25°C
• Refractive Index: n20/D 1.596(lit.)
• Boiling Point: 152-155 °C11 mm Hg(lit.)
• Flash Point: >230 °F
• PSA: 58.86000
• Density: 1.362 g/mL at 25 °C(lit.)
• LogP: 2.36000
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 208.0039551
• Heavy Atom Count: 14
• Complexity: 283

Purity/Quality:

98%Min ^*data from raw suppliers

1-Chloromethyl-2,4-diisocyanatobenzene 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37-36/37/38
• Safety Statements: 7-26-27-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N=C=O)N=C=O)CCl

Technology Process of 1-Chloromethyl-2,4-diisocyanatobenzene

There total 1 articles about 1-Chloromethyl-2,4-diisocyanatobenzene 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:

2,4-Toluene diisocyanate (584-84-9,6144-18-9,26006-20-2) → 1-(chloromethyl)-2,4-diisocyanatobenzene (51979-57-8)

Guidance literature:

With chlorine; 1,1,2,2-tetrachloroethane; at 130 ℃; Irradiation_.beim Bestrahlen mit UV-Licht;

Reference yield:

(4,4'-di-tert-butyl-2,2'-bipyridine)dimethylplatinum(II) + 1-(chloromethyl)-2,4-diisocyanatobenzene (51979-57-8) → [PtCl(CH3)2((NC5H3C(CH3)3)2)(CH2C6H3(NCO)2)]

Guidance literature:

In tetrahydrofuran; under N2; stirring mixt. of Pt complex and ClCH2C6H4NCO in dry THF overnight; evapn. under vac.;

DOI:10.1021/om990942g

upstream raw materials:

2,4-Toluene diisocyanate

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