5-Isocyanato-1,3-benzodioxole

Base Information

Chemical Name:5-Isocyanato-1,3-benzodioxole
CAS No.:69922-28-7
Molecular Formula:C8H5 N O3
Molecular Weight:163.133
Hs Code.:2932999099
European Community (EC) Number:626-715-3
DSSTox Substance ID:DTXSID10411209
Nikkaji Number:J1.169.862J
Mol file:69922-28-7.mol

Synonyms:5-isocyanato-1,3-benzodioxole;69922-28-7;3,4-(Methylenedioxy)phenyl isocyanate;5-isocyanatobenzo[d][1,3]dioxole;5-isocyanato-2H-1,3-benzodioxole;MFCD01863692;1,3-Benzodioxole, 5-isocyanato-;1,3-Benzodioxol-5-yl isocyanate;SCHEMBL140824;5-isocyanato-1,3-dioxaindane;5-isocyanato-benzo[1,3]dioxole;DTXSID10411209;3,4-methylenedioxyphenylisocyanate;GTTXYMVUACJZRG-UHFFFAOYSA-N;3,4-methylenedioxyphenyl isocyanate;3,4-(methylenedioxy)phenylisocyanate;3,4-methylenedioxy-phenyl isocyanate;3,4-(methylendioxy)phenyl-isocyanate;3,4-(methylenedioxy)phenyl-isocyanate;AKOS000183843;1,3-Benzodioxole,5-isocyanato-(9CI);AS-40373;3,4-(Methylenedioxy)phenyl isocyanate, 98%;FT-0678565;EN300-108964;F2190-0552;Z316172548

Suppliers and Price of 5-Isocyanato-1,3-benzodioxole

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
3,4-(Methylenedioxy)phenyl isocyanate
50mg
$ 45.00

SynQuest Laboratories
1,3-Benzodioxol-5-yl isocyanate
5 g
$ 189.00

SynQuest Laboratories
1,3-Benzodioxol-5-yl isocyanate
1 g
$ 61.00

Sigma-Aldrich
3,4-(Methylenedioxy)phenyl isocyanate 98%
5g
$ 150.00

Oakwood
5-Isocyanato-1,3-benzodioxole 98%
25g
$ 590.00

Oakwood
5-Isocyanato-1,3-benzodioxole 98%
5g
$ 155.00

Oakwood
5-Isocyanato-1,3-benzodioxole 98%
1g
$ 50.00

Matrix Scientific
5-Isocyanato-1,3-benzodioxole
500mg
$ 95.00

Frontier Specialty Chemicals
3,4-(Methylenedioxy)phenyl isocyanate 97%
5g
$ 170.00

American Custom Chemicals Corporation
3,4-(METHYLENEDIOXY)PHENYL ISOCYANATE 95.00%
0.5G
$ 638.00

Total 35 raw suppliers

Chemical Property of 5-Isocyanato-1,3-benzodioxole

Chemical Property:

Vapor Pressure:0.0091mmHg at 25°C
Melting Point:48-51 °C(lit.)
Boiling Point:265.6 °C at 760 mmHg
Flash Point:110 ºC
PSA：47.89000
Density:1.36 g/cm³
LogP:1.38260
Storage Temp.:2-8°C
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:163.026943022
Heavy Atom Count:12
Complexity:212

Purity/Quality:

97% ^*data from raw suppliers

3,4-(Methylenedioxy)phenyl isocyanate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1OC2=C(O1)C=C(C=C2)N=C=O

Technology Process of 5-Isocyanato-1,3-benzodioxole

There total 12 articles about 5-Isocyanato-1,3-benzodioxole 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: 60.0%