Dimethyl 5-isothiocyanatoisophthalate

Base Information

Chemical Name:Dimethyl 5-isothiocyanatoisophthalate
CAS No.:72076-50-7
Molecular Formula:C11H9NO4S
Molecular Weight:251.2585
Hs Code.:2930909090
DSSTox Substance ID:DTXSID0072483
Nikkaji Number:J447.029J
Mol file:72076-50-7.mol

Synonyms:Dimethyl 5-isothiocyanatoisophthalate;72076-50-7;dimethyl 5-isothiocyanatobenzene-1,3-dicarboxylate;1,3-dimethyl 5-isothiocyanatobenzene-1,3-dicarboxylate;1,3-Benzenedicarboxylic acid, 5-isothiocyanato-, dimethyl ester;5-Isothiocyanato-isophthalic acid dimethyl ester;C11H9NO4S;1,3-Benzenedicarboxylic acid, 5-isothiocyanato-, 1,3-dimethyl ester;DTXSID0072483;C11-H9-N-O4-S;MFCD06809670;STK784779;AKOS005173809;Dimethyl 5-isothiocyanatoisophthalate #;LS-04099;5-Isothiocyanato-1,3-benzenedicarboxylic acid dimethyl ester

Suppliers and Price of Dimethyl 5-isothiocyanatoisophthalate

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

Oakwood
5-Isothiocyanato-isophthalicaciddimethylester 94%
1g
$ 95.00

Matrix Scientific
Dimethyl 5-isothiocyanatoisophthalate
500mg
$ 119.00

Biosynth Carbosynth
Dimethyl 5-isothiocyanatoisophthalate
500 mg
$ 75.00

Biosynth Carbosynth
Dimethyl 5-isothiocyanatoisophthalate
10 g
$ 741.00

Biosynth Carbosynth
Dimethyl 5-isothiocyanatoisophthalate
5 g
$ 436.00

Biosynth Carbosynth
Dimethyl 5-isothiocyanatoisophthalate
2 g
$ 218.00

Biosynth Carbosynth
Dimethyl 5-isothiocyanatoisophthalate
1 g
$ 128.00

Total 5 raw suppliers

Chemical Property of Dimethyl 5-isothiocyanatoisophthalate

Chemical Property:

Vapor Pressure:1.32E-06mmHg at 25°C
Melting Point:114-115 °C
Boiling Point:399.9°Cat760mmHg
Flash Point:195.7°C
PSA：97.05000
Density:1.25g/cm³
LogP:1.99410
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:251.02522894
Heavy Atom Count:17
Complexity:327

Purity/Quality:

98%min ^*data from raw suppliers

5-Isothiocyanato-isophthalicaciddimethylester 94% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC(=CC(=C1)N=C=S)C(=O)OC

Technology Process of Dimethyl 5-isothiocyanatoisophthalate

There total 4 articles about Dimethyl 5-isothiocyanatoisophthalate 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: 45.0%