1,2,3-Benzothiadiazole-7-carboxylic acid

Base Information Edit

Chemical Name:1,2,3-Benzothiadiazole-7-carboxylic acid
CAS No.:35272-27-6
Molecular Formula:C7H4 N2 O2 S
Molecular Weight:180.187
Hs Code.:2934999090
European Community (EC) Number:811-175-5
UNII:E29L6QPQ9U
DSSTox Substance ID:DTXSID40885616
Nikkaji Number:J89.000F
Wikidata:Q82864268
ChEMBL ID:CHEMBL2228257
Mol file:35272-27-6.mol

Synonyms:35272-27-6;1,2,3-Benzothiadiazole-7-carboxylic acid;Acibenzolar acid;benzo[d][1,2,3]thiadiazole-7-carboxylic acid;E29L6QPQ9U;CGA210007;CGA-210007;benzo-1,2,3-thiadiazole-7-carboxylic acid;BENZO(D)(1,2,3)THIADIAZOLE-7-CARBOXYLIC ACID;CGA 210007;7-carboxybenzothiadiazole;UNII-E29L6QPQ9U;SCHEMBL2455715;CHEMBL2228257;DTXSID40885616;CHEBI:141405;COAIOOWBEPAOFY-UHFFFAOYSA-N;MFCD18459280;1,2,3-Benzothiadiazol-7-carbonsaeure;AKOS006372527;CGA 210 007;1,2,3-benzothia-diazole-7-carboxylic acid;Acide 1,2,3-benzothiadiazole-7-carboxylique;benzo-(1,2,3)-thiadiazole-7-carboxylic acid;benzo[d][1,2,3]thiadiazole-7-carboxylicacid;Acibenzolar acid 100 microg/mL in Acetonitrile;EN300-325319;Acibenzolar acid, PESTANAL(R), analytical standard

Suppliers and Price of 1,2,3-Benzothiadiazole-7-carboxylic acid

Supply Marketing:Edit

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
Acibenzolar acid
250mg
$ 1260.00

Sigma-Aldrich
Acibenzolar acid PESTANAL
50mg
$ 240.00

JR MediChem
1,2,3-Benzothiadiazole-7-carboxylicacid 96%
25g
$ 2980.00

Total 22 raw suppliers

Chemical Property of 1,2,3-Benzothiadiazole-7-carboxylic acid Edit

Chemical Property:

Melting Point:260～264℃
Boiling Point:385.2±34.0 °C(Predicted)
PKA:1.35±0.10(Predicted)
PSA：91.32000
Density:1.608±0.06 g/cm3(Predicted)
LogP:1.38950
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:179.99934855
Heavy Atom Count:12
Complexity:200

Purity/Quality:

98%Min ^*data from raw suppliers

Acibenzolar acid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C2C(=C1)N=NS2)C(=O)O
Uses Acibenzolar Acid is a fungicide used in the treatment of plants against fungal diseases. Pesticide component.

Technology Process of 1,2,3-Benzothiadiazole-7-carboxylic acid

There total 20 articles about 1,2,3-Benzothiadiazole-7-carboxylic acid 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: 98.0%

: 23621-08-1
benzo[1,2,3]thiadiazole-7-carboxylic acid methtyl ester

: 35272-27-6
benzo[d][1,2,3]thiadiazole-7-carboxylic acid

Guidance literature:: With sodium hydroxide; water;
DOI:10.1002/(SICI)1096-9063(199708)50:4<275::AID-PS593>3.0.CO;2-7

Reference yield: 88.0%

: 23615-90-9
Benzo[1,2,3]thiadiazole-7-nitrile

: 35272-27-6
benzo[d][1,2,3]thiadiazole-7-carboxylic acid

Guidance literature:: With potassium hydroxide; In butan-1-ol;
DOI:10.1002/(SICI)1096-9063(199708)50:4<275::AID-PS593>3.0.CO;2-7

Reference yield: 60.0%

: 209459-11-0
methyl 2-aminobenzo[d]thiazole-7-carboxylate

: 35272-27-6
benzo[d][1,2,3]thiadiazole-7-carboxylic acid

Guidance literature:: methyl 2-aminobenzo[d]thiazole-7-carboxylate; With potassium hydroxide; In water; at 120 ℃; for 12h; Inert atmosphere;

With hydrogenchloride; at 0 - 5 ℃; pH=7;

With sodium nitrite; at 0 - 5 ℃;
DOI:10.1016/j.bmcl.2020.127369