Diphenylmethyl isocyanate

Base Information

• Chemical Name: Diphenylmethyl isocyanate
• CAS No.: 3066-44-2
• Molecular Formula: C14H11NO
• Molecular Weight: 209.247
• Hs Code.: 2929109000
• European Community (EC) Number: 625-556-7
• DSSTox Substance ID: DTXSID70401227
• Nikkaji Number: J677.780E
• Mol file: 3066-44-2.mol

Synonyms:Diphenylmethyl isocyanate;3066-44-2;[isocyanato(phenyl)methyl]benzene;diphenylmethylisocyanate;1,1'-(isocyanatomethylene)dibenzene;Benzene, 1,1'-(isocyanatomethylene)bis-;diphenylmethyl-isocyanate;Di-phenylmethylisocyanate;diphenylmethane isocyanate;(isocyanatomethylene)dibenzene;SCHEMBL134389;Diphenylmethyl isocyanate, 98%;DTXSID70401227;BWLKKFSDKDJGDZ-UHFFFAOYSA-N;(Phenyl-isocyanato-methyl)-benzene;MFCD01863694;AKOS009157286;EN300-236169;J-018046;F2160-0003

Chemical Property of Diphenylmethyl isocyanate

Chemical Property:

• Refractive Index: n20/D 1.579(lit.)
• Boiling Point: 305.1 °C at 760 mmHg
• Flash Point: 94.1 °C
• PSA: 29.43000
• Density: 1.03 g/cm³
• LogP: 3.11180
• Storage Temp.: 2-8°C
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 209.084063974
• Heavy Atom Count: 16
• Complexity: 228

Purity/Quality:

98%,99%, ^*data from raw suppliers

[isocyanato(phenyl)methyl]benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 23-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)N=C=O

Technology Process of Diphenylmethyl isocyanate

There total 21 articles about Diphenylmethyl 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: 100.0%

phosgene (75-44-5) + Benzhydrylamine (91-00-9) → diphenylmethyl isocyanate (3066-44-2)

Guidance literature:

In toluene; for 0.166667h; Heating;

DOI:10.1021/jm0111088

Reference yield: 97.0%

2-(diphenylmethyloxy)tetrahydro-2H-pyran (79373-25-4) + tetrabutylammonium isocyanate (39139-87-2) → diphenylmethyl isocyanate (3066-44-2)

Guidance literature:

With triphenylphosphine; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In acetonitrile; for 34h; Reflux;

DOI:10.1080/10426500802508212

Reference yield: 74.0%

silver (I) nitro cyanamide (20236-50-4) + Bromodiphenylmethane (776-74-9) → diphenylmethyl isocyanate (3066-44-2)

Guidance literature:

In benzene; at 25 ℃; for 15h;

upstream raw materials:

2,2-diphenylethanoyl azide

benzhydryl-carbamoyl chloride

fulminic acid ; silver-salt

Bromodiphenylmethane

Downstream raw materials:

benzhydryl-carbamic acid-(2-piperidino-ethyl ester)

benzhydryl-carbamic acid-(2-diethylamino-ethyl ester)

N-benzhydryl-N'-(2,2-dimethoxy-ethyl)-urea

N,N'-dibenzhydryl-urea