4-Biphenylyl isocyanate

Base Information

• Chemical Name: 4-Biphenylyl isocyanate
• CAS No.: 92-95-5
• Molecular Formula: C13H9 N O
• Molecular Weight: 195.221
• Hs Code.: 2929109000
• European Community (EC) Number: 624-654-7
• UNII: B0ZSP4UPQ4
• DSSTox Substance ID: DTXSID30394186
• Nikkaji Number: J4.663I
• Wikidata: Q27274234
• Mol file: 92-95-5.mol

Synonyms:4-Biphenylyl isocyanate;92-95-5;4-Biphenyl isocyanate;1-isocyanato-4-phenylbenzene;p-Xenylcarbimide;4-Isocyanatobiphenyl;4-Phenylphenyl isocyanate;p-Diphenyl isocyanate;p-Xenylcarbimide [MI];p-Phenylphenyl isocyanate;4-isocyanato-1,1'-biphenyl;UNII-B0ZSP4UPQ4;B0ZSP4UPQ4;1,1'-Biphenyl, 4-isocyanato-;4-BIPHENYLYLISOCYANATE;4-isocyanatobiphenyl;p-xenyl isocyanate;4-Isocyanato-1,1'-biphenyl;Biphenyl-4-yl isocyanate;4-isocyanato-biphenyl;biphenyl-4-isocyanate;4-phenylphenylisocyanate;4-Biphenylyl isocyanate,97%;SCHEMBL139997;4-Biphenylyl isocyanate, 97%;DTXSID30394186;isocyanic acid 4-biphenylyl ester;WIRPZDICFIIBRF-UHFFFAOYSA-N;GEO-03730;MFCD00037089;AKOS015916458;EN300-146976;A846590;Q27274234

Chemical Property of 4-Biphenylyl isocyanate

Chemical Property:

• Vapor Pressure: 0.000525mmHg at 25°C
• Melting Point: 59-62 °C(lit.)
• Refractive Index: 1.569
• Boiling Point: 110-112 °C1 mm Hg(lit.)
• Flash Point: 115.4℃
• PSA: 29.43000
• Density: 1.04
• LogP: 3.32090
• Storage Temp.: 2-8°C
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 195.068413911
• Heavy Atom Count: 15
• Complexity: 231

Purity/Quality:

97% ^*data from raw suppliers

4-Biphenylyl isocyanate 97% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)N=C=O
• Uses: As a reagent for the identification of hydroxy compounds, with which it gives crystalline derivatives of definite melting point.

Technology Process of 4-Biphenylyl isocyanate

There total 8 articles about 4-Biphenylyl 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: 15.0%

carbon monoxide (201230-82-2) + 1-phenyl-4-nitrobenzene (92-93-3) → 4-biphenyl isocyanate (92-95-5)

Guidance literature:

bis(tetrahydrofurane)oxovanadium(IV) dichloride; (Bu4N); In 1,2-dichloro-benzene; at 120 ℃; under 750.06 Torr;

Reference yield:

bis(trichloromethyl) carbonate (32315-10-9) + 4-phenylalanine (92-67-1) → 4-biphenyl isocyanate (92-95-5)

Guidance literature:

In toluene; for 4h; Reflux;

DOI:10.1021/ml3000758

Reference yield:

biphenyl-4-carboxylic acid (92-92-2) → 4-biphenyl isocyanate (92-95-5)

Guidance literature:

With diphenylphosphoranyl azide; triethylamine; In toluene; at 95 ℃; for 0.333333h;

DOI:10.1248/cpb.46.1286

upstream raw materials:

ethyl [1,1′-biphenyl]-4-ylcarbamate

phosgene

4-phenylalanine

biphenyl-4-ylamine; hydrochloride

Downstream raw materials:

N-(4-amino-2-methyl-[6]quinolyl)-N'-biphenyl-4-yl-urea

1,3-di([1,1'-biphenyl]-4-yl)urea