3-Nitrophenyl isocyanate

Base Information

Chemical Name:3-Nitrophenyl isocyanate
CAS No.:3320-87-4
Molecular Formula:C7H4N2O3
Molecular Weight:164.12
Hs Code.:29291090
European Community (EC) Number:222-025-8
NSC Number:5385
DSSTox Substance ID:DTXSID5062976
Nikkaji Number:J64.498F
Mol file:3320-87-4.mol

Synonyms:3-Nitrophenyl isocyanate;3320-87-4;1-Isocyanato-3-nitrobenzene;m-Nitrophenyl isocyanate;3-Nitrophenylisocyanate;Benzene, 1-isocyanato-3-nitro-;Isocyanic acid, m-nitrophenyl ester;1-isocyanato-3-nitro-benzene;NSC 5385;EINECS 222-025-8;AI3-28251;m-nitrophenylisocyanate;3-nitropheny isocyanate;metanitrophenyl isocyanate;3-Isocyanato benzonitrile;SCHEMBL87580;1-Isocyanato-3-nitrobenzene #;3-Nitrophenyl isocyanate, 97%;DTXSID5062976;SCHEMBL12810793;NSC5385;NSC-5385;GEO-02022;MFCD00007220;STK504588;AKOS000121042;AB00859;BB 0260826;FT-0602075;EN300-21661;D97429;W-200308;Z104507882

Suppliers and Price of 3-Nitrophenyl 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

Usbiological
3-Nitrophenyl isocyanate
5g
$ 192.00

SynQuest Laboratories
3-Nitrophenyl isocyanate 97%
25 g
$ 192.00

SynQuest Laboratories
3-Nitrophenyl isocyanate 97%
5 g
$ 90.00

Sigma-Aldrich
3-Nitrophenyl isocyanate 97%
5g
$ 49.20

Sigma-Aldrich
3-Nitrophenyl isocyanate 97%
25g
$ 216.00

Matrix Scientific
1-Isocyanato-3-nitrobenzene
500mg
$ 76.00

Apolloscientific
3-Nitrophenyl isocyanate 97%
25g
$ 174.00

Apolloscientific
3-Nitrophenyl isocyanate 97%
5g
$ 82.00

American Custom Chemicals Corporation
3-NITROPHENYL ISOCYANATE 95.00%
5G
$ 970.20

American Custom Chemicals Corporation
3-NITROPHENYL ISOCYANATE 95.00%
1G
$ 646.80

Total 28 raw suppliers

Chemical Property of 3-Nitrophenyl isocyanate

Chemical Property:

Appearance/Colour:yellow crystalline solid
Vapor Pressure:0.0118mmHg at 25°C
Melting Point:51-52 °C(lit.)
Refractive Index:1.589
Boiling Point:261.1 °C at 760 mmHg
Flash Point:111.7 °C
PSA：75.25000
Density:1.32 g/cm³
LogP:2.08530
Storage Temp.:0-6°C
Sensitive.:Moisture Sensitive
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:164.02219199
Heavy Atom Count:12
Complexity:217

Purity/Quality:

97% ^*data from raw suppliers

3-Nitrophenyl isocyanate ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22-36/37/38-42/43
Safety Statements: 22-26-36/37-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC(=CC(=C1)[N+](=O)[O-])N=C=O
Uses 3-Nitrophenyl isocyanate may be used in chemical synthesis studies.

Technology Process of 3-Nitrophenyl isocyanate

There total 21 articles about 3-Nitrophenyl 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: 8.0%

: 99-65-0
meta-dinitrobenzene

: 201230-82-2
carbon monoxide

: 3320-87-4
isocyanic acid (3-nitro-phenyl) ester

: 123-61-5
1,3-Phenylene diisocyanate

Guidance literature:: With MoO₃+Fe₂O₃ on Al₂O₃; trimethyleneglycol; In 1,2-dichloro-benzene; at 210 ℃; under 228000 Torr;
DOI:10.1007/BF00951891