5-Chloro-2-phenoxyphenyl isocyanate

Base Information

Chemical Name:5-Chloro-2-phenoxyphenyl isocyanate
CAS No.:85385-33-7
Molecular Formula:C13H8ClNO2
Molecular Weight:245.66112
Hs Code.:2929109000
European Community (EC) Number:626-764-0
DSSTox Substance ID:DTXSID00408188
Nikkaji Number:J308.000E
Mol file:85385-33-7.mol

Synonyms:5-Chloro-2-phenoxyphenyl isocyanate;85385-33-7;4-chloro-2-isocyanato-1-phenoxybenzene;5-chloro-2-phenoxyphenylisocyanate;4-Chloro-2-isocyanatophenyl phenyl ether;starbld0026732;SCHEMBL1191181;DTXSID00408188;SCGXZJTXFUNGAL-UHFFFAOYSA-N;5-chloro-2-phenoxy phenyl isocyanate;5-Chloro-2-phenoxyphenyl isocyanate 97;5-Chloro-2-phenoxyphenyl isocyanate, 97%;FT-0717801

Suppliers and Price of 5-Chloro-2-phenoxyphenyl 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
5-Chloro-2-phenoxyphenyl isocyanate 97%
5g
$ 109.00

Sigma-Aldrich
5-Chloro-2-phenoxyphenyl isocyanate 97%
1 g
$ 31.80

American Custom Chemicals Corporation
5-CHLORO-2-PHENOXYPHENYL ISOCYANATE 95.00%
5G
$ 916.84

American Custom Chemicals Corporation
5-CHLORO-2-PHENOXYPHENYL ISOCYANATE 95.00%
1G
$ 643.72

Total 5 raw suppliers

Chemical Property of 5-Chloro-2-phenoxyphenyl isocyanate

Chemical Property:

Vapor Pressure:0.00012mmHg at 25°C
Melting Point:43-47 °C(lit.)
Boiling Point:335.4°C at 760 mmHg
Flash Point:>230 °F
PSA：38.66000
Density:1.21g/cm³
LogP:4.09960
XLogP3:4.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:245.0243562
Heavy Atom Count:17
Complexity:285

Purity/Quality:

99% ^*data from raw suppliers

5-Chloro-2-phenoxyphenyl isocyanate 97% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)N=C=O

Technology Process of 5-Chloro-2-phenoxyphenyl isocyanate

There total 4 articles about 5-Chloro-2-phenoxyphenyl 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:

: 91-39-4
4-chloro-2-nitro-1-phenoxybenzene

: 85385-33-7
5-chloro-2-phenoxyphenylisocyanate

Guidance literature:: Multi-step reaction with 2 steps

1: 85 percent / H₂ / Raney nickel W-2 / methanol / 3620.13 Torr

2: 1,2-dichloro-benzene / 3 h / 160 - 170 °C

With hydrogen; Raney nickel W-2; In methanol; 1,2-dichloro-benzene;
DOI:10.1515/HC.2007.13.2-3.165

Reference yield:

: 89-61-2
2,5-dichloronitrobenzene

: 85385-33-7
5-chloro-2-phenoxyphenylisocyanate

Guidance literature:: Multi-step reaction with 3 steps

1: 81 percent / NaOH; TBAB / H₂O / 30 h / Heating

2: 85 percent / H₂ / Raney nickel W-2 / methanol / 3620.13 Torr

3: 1,2-dichloro-benzene / 3 h / 160 - 170 °C

With sodium hydroxide; tetrabutylammomium bromide; hydrogen; Raney nickel W-2; In methanol; water; 1,2-dichloro-benzene;
DOI:10.1515/HC.2007.13.2-3.165

Reference yield:

: 108-95-2,27073-41-2
phenol

: 85385-33-7
5-chloro-2-phenoxyphenylisocyanate

Guidance literature:: Multi-step reaction with 3 steps

1: 81 percent / NaOH; TBAB / H₂O / 30 h / Heating

2: 85 percent / H₂ / Raney nickel W-2 / methanol / 3620.13 Torr

3: 1,2-dichloro-benzene / 3 h / 160 - 170 °C

With sodium hydroxide; tetrabutylammomium bromide; hydrogen; Raney nickel W-2; In methanol; water; 1,2-dichloro-benzene;
DOI:10.1515/HC.2007.13.2-3.165