2-Benzylphenyl isocyanate

Base Information

Chemical Name:2-Benzylphenyl isocyanate
CAS No.:146446-96-0
Molecular Formula:C14H11 N O
Molecular Weight:209.247
Hs Code.:2929109000
European Community (EC) Number:624-938-0
DSSTox Substance ID:DTXSID30407306
Nikkaji Number:J1.942.774I
Mol file:146446-96-0.mol

Synonyms:2-Benzylphenyl isocyanate;146446-96-0;1-benzyl-2-isocyanatobenzene;Benzene, 1-isocyanato-2-(phenylmethyl)-;2-benzylphenylisocyanate;2-benzylphenyl-isocyanate;SCHEMBL510928;2-Benzylphenyl isocyanate, 97%;DTXSID30407306;GLYMYAJKKMZFQT-UHFFFAOYSA-N;MFCD02683468;AKOS009158518;2-BENZYLPHENYL ISOCYANATE 97;EN300-271005;J-008223

Suppliers and Price of 2-Benzylphenyl isocyanate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
2-Benzylphenyl isocyanate
500mg
$ 200.00

Sigma-Aldrich
2-Benzylphenyl isocyanate 97%
5g
$ 184.00

Sigma-Aldrich
2-Benzylphenyl isocyanate 97%
1g
$ 46.40

American Custom Chemicals Corporation
2-BENZYLPHENYL ISOCYANATE 95.00%
10G
$ 1410.75

American Custom Chemicals Corporation
2-BENZYLPHENYL ISOCYANATE 95.00%
5G
$ 968.70

American Custom Chemicals Corporation
2-BENZYLPHENYL ISOCYANATE 95.00%
1G
$ 651.78

Total 6 raw suppliers

Chemical Property of 2-Benzylphenyl isocyanate

Chemical Property:

Vapor Pressure:0.000312mmHg at 25°C
Refractive Index:n20/D 1.591(lit.)
Boiling Point:309 °C(lit.)
Flash Point:230 °F
PSA：29.43000
Density:1.11 g/mL at 25 °C(lit.)
LogP:3.24470
XLogP3:4.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:209.084063974
Heavy Atom Count:16
Complexity:252

Purity/Quality:

98%Min ^*data from raw suppliers

2-Benzylphenyl isocyanate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
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)CC2=CC=CC=C2N=C=O

Technology Process of 2-Benzylphenyl isocyanate

There total 2 articles about 2-Benzylphenyl 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:

: 1557-41-1
N-[2-(phenylmethyl)phenyl]formamide

: 146446-96-0
1-benzyl-2-isocyanatobenzene

Guidance literature:: With bis-[(trifluoroacetoxy)iodo]benzene; In 1,2-dichloro-ethane; for 0.0333333h; Molecular sieve; Inert atmosphere;
DOI:10.1039/c4ob00066h

Reference yield:

: 612-35-1
2-Benzylbenzoic acid

: 146446-96-0
1-benzyl-2-isocyanatobenzene

Guidance literature:: With diphenylphosphoranyl azide; triethylamine; In toluene; at 95 ℃; for 0.333333h;
DOI:10.1248/cpb.46.1286

Reference yield: 89.0%

: 146446-96-0
1-benzyl-2-isocyanatobenzene

: 841-77-0
diphenylmethylpiperazine

: 1581258-95-8
N-(2-benzylphenyl)-4-(diphenylmethyl)piperazine-1-carboxamide

Guidance literature:: diphenylmethylpiperazine; With triethylamine; In dichloromethane; for 0.166667h; Cooling with ice;

1-benzyl-2-isocyanatobenzene; In dichloromethane; at 20 ℃;
DOI:10.3109/14756366.2013.765416