3-Phenylpropyl isocyanate

Base Information

Chemical Name:3-Phenylpropyl isocyanate
CAS No.:68664-23-3
Molecular Formula:C10H11NO
Molecular Weight:161.203
Hs Code.:2929109000
European Community (EC) Number:689-568-4
DSSTox Substance ID:DTXSID10392382
Nikkaji Number:J937.268G
Mol file:68664-23-3.mol

Synonyms:3-Phenylpropyl isocyanate;68664-23-3;3-isocyanatopropylbenzene;(3-isocyanatopropyl)benzene;3-phenylpropylisocyanate;phenylpropylisocyanate;(3-isocyanatopropyl)-benzene;1-(3-isocyanatopropyl)benzene;(3-Isocyanato-propyl)-benzene;3-Phenylpropyl isocyanate,97%;SCHEMBL1149239;3-Phenylpropyl isocyanate, 97%;DTXSID10392382;WPABAKMRZCBXTO-UHFFFAOYSA-N;GEO-02872;MFCD04039909;AKOS010078905;EN300-1265390;F2160-0021

Suppliers and Price of 3-Phenylpropyl 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

Sigma-Aldrich
3-Phenylpropyl isocyanate 97%
5g
$ 265.00

Sigma-Aldrich
3-Phenylpropyl isocyanate 97%
1g
$ 75.40

American Custom Chemicals Corporation
3-PHENYLPROPYL ISOCYANATE 95.00%
5G
$ 995.67

American Custom Chemicals Corporation
3-PHENYLPROPYL ISOCYANATE 95.00%
1G
$ 663.25

Total 8 raw suppliers

Chemical Property of 3-Phenylpropyl isocyanate

Chemical Property:

Vapor Pressure:0.0257mmHg at 25°C
Refractive Index:n20/D 1.5160(lit.)
Boiling Point:238-239oC(lit.)
Flash Point:>230 °F
PSA：29.43000
Density:1.041 g/mL at 25oC(lit.)
LogP:1.95500
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:161.084063974
Heavy Atom Count:12
Complexity:155

Purity/Quality:

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

3-Phenylpropyl isocyanate 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 20/21/22-36/37/38-42
Safety Statements: 23-26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CCCN=C=O

Technology Process of 3-Phenylpropyl isocyanate

There total 17 articles about 3-Phenylpropyl 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: 98.0%

: 122-97-4
3-Phenyl-1-propanol

: 39139-87-2
tetrabutylammonium isocyanate

: 68664-23-3
3-phenylpropylisocyanate

Guidance literature:: With triphenylphosphine; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In acetonitrile; at 20 ℃; for 0.166667h;
DOI:10.1055/s-2005-869906

Reference yield: 97.0%

: 39139-87-2
tetrabutylammonium isocyanate

: 112471-51-9
2-(3-phenylpropoxy)tetrahydro-2H-pyran

: 68664-23-3
3-phenylpropylisocyanate

Guidance literature:: With triphenylphosphine; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In acetonitrile; for 9h; Reflux;
DOI:10.1080/10426500802508212

Reference yield: 92.0%

: 3-(3-phenylpropyl)-5H-1,4,2-dioxazol-5-one

: 68664-23-3
3-phenylpropylisocyanate

: 56553-09-4
(S)-(-)-5-phenylpyrrolidin-2-one

Guidance literature:: With C₄₈H₄₆N₆Ru⁽²⁺⁾*2BF₄^(1-); In 1,2-dichloro-benzene; at 20 ℃; for 8h; enantioselective reaction; Inert atmosphere; Schlenk technique;
DOI:10.1021/jacs.9b09301