Methyl 1,2,3-benzothiadiazole-5-carboxylate

Base Information

Chemical Name:Methyl 1,2,3-benzothiadiazole-5-carboxylate
CAS No.:23616-15-1
Molecular Formula:C₈H₆N₂O₂S
Molecular Weight:194.214
Hs Code.:2934999090
European Community (EC) Number:640-861-5
DSSTox Substance ID:DTXSID60371622
Wikidata:Q82159014
Mol file:23616-15-1.mol

Synonyms:23616-15-1;methyl 1,2,3-benzothiadiazole-5-carboxylate;methyl benzo[d][1,2,3]thiadiazole-5-carboxylate;methyl1,2,3-benzothiadiazole-5-carboxylate;MFCD01566550;1,2,3-Benzothiadiazole-5-carboxylic acid, methyl ester;Maybridge1_005151;SCHEMBL4277300;HMS556C03;DTXSID60371622;JCRFJMHWEAYQAA-UHFFFAOYSA-N;YAA61615;CCG-42772;AKOS006228203;PS-3176;SDCCGMLS-0066150.P001;s10615;SY040443;A4928;FT-0628353;methyl benzo[1,2,3]thiadiazole-5-carboxylate;methylbenzo[d][1,2,3]thiadiazole-5-carboxylate;A816802;4-methylbenzo[d][1,2,3]thiadiazole-5-carboxylate;SR-01000632745-1;W-206839

Suppliers and Price of Methyl 1,2,3-benzothiadiazole-5-carboxylate

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
Methyl1,2,3-benzothiadiazole-5-carboxylate
50mg
$ 65.00

SynQuest Laboratories
Methyl 1,2,3-benzothiadiazole-5-carboxylate
1 g
$ 157.00

SynQuest Laboratories
Methyl 1,2,3-benzothiadiazole-5-carboxylate
250 mg
$ 87.00

Labseeker
methylbenzo[d][1,2,3]thiadiazole-5-carboxylate 95
5g
$ 1417.00

Crysdot
Methylbenzo[d][1,2,3]thiadiazole-5-carboxylate 95+%
1g
$ 183.00

Crysdot
Methylbenzo[d][1,2,3]thiadiazole-5-carboxylate 95+%
5g
$ 682.00

Crysdot
Methylbenzo[d][1,2,3]thiadiazole-5-carboxylate 95+%
250mg
$ 73.00

Chemenu
Methylbenzo[d][1,2,3]thiadiazole-5-carboxylate 95%
5g
$ 644.00

Chemenu
Methylbenzo[d][1,2,3]thiadiazole-5-carboxylate 95%
1g
$ 189.00

Apolloscientific
Methyl1,2,3-benzothiadiazole-5-carboxylate
250mg
$ 79.00

Total 13 raw suppliers

Chemical Property of Methyl 1,2,3-benzothiadiazole-5-carboxylate

Chemical Property:

Vapor Pressure:0.000878mmHg at 25°C
Melting Point:118-120
Refractive Index:1.655
Boiling Point:304.4°Cat760mmHg
Flash Point:137.9°C
PSA：80.32000
Density:1.413g/cm³
LogP:1.47790
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:194.01499861
Heavy Atom Count:13
Complexity:212

Purity/Quality:

97% ^*data from raw suppliers

Methyl1,2,3-benzothiadiazole-5-carboxylate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Safety Statements: S24/25:Avoid contact with skin and eyes.;

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC2=C(C=C1)SN=N2

Technology Process of Methyl 1,2,3-benzothiadiazole-5-carboxylate

There total 4 articles about Methyl 1,2,3-benzothiadiazole-5-carboxylate 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: 70.0%

: 78822-61-4
Bis<2-amino-4-(carbomethoxy)phenyl>disulfide

: 23616-15-1
methyl benzo[d][1,2,3]thiadiazole-5-carboxylate

Guidance literature:: With hydrogenchloride; sodium nitrite; In water; at 5 - 10 ℃;
DOI:10.1021/jo00337a035

Reference yield:

: 14719-83-6
methyl 3-nitro-4-chlorobenzoate

: 23616-15-1
methyl benzo[d][1,2,3]thiadiazole-5-carboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: 17.6 g / Na₂S*9H₂O, S / ethanol; H₂O / 3 h

2: 13.6 g / H₂ / 10percent Pd/C / CH₂Cl₂

3: 70 percent / NaNO₂, conc. HCl / H₂O / 5 - 10 °C

With hydrogenchloride; sodium sulfide; hydrogen; sodium nitrite; palladium on activated charcoal; In ethanol; dichloromethane; water;
DOI:10.1021/jo00337a035

Reference yield:

: 35350-37-9
methyl 4-[[4-(methoxycarbonyl)-2-nitrophenyl]disulfanyl]-3-nitrobenzoate

: 23616-15-1
methyl benzo[d][1,2,3]thiadiazole-5-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 13.6 g / H₂ / 10percent Pd/C / CH₂Cl₂

2: 70 percent / NaNO₂, conc. HCl / H₂O / 5 - 10 °C

With hydrogenchloride; hydrogen; sodium nitrite; palladium on activated charcoal; In dichloromethane; water;
DOI:10.1021/jo00337a035