2,1,3-benzothiadiazole-4-carboxylic acid

HCID 2795202CAS 3529-57-5

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Basic information

Standard SMILES
O=C(O)c1cccc2nsnc12
InChIKey
ZGDGZMOKXTUMEV-UHFFFAOYSA-N
Molecular formula
C7H4N2O2S
Average molar mass
180.188 g/mol
Monoisotopic mass
179.99934837

Names & identifiers

Preferred name
2,1,3-benzothiadiazole-4-carboxylic acid
IUPAC
2,1,3-Benzothiadiazole-4-carboxylic acid
English name
2,1,3-BENZOTHIADIAZOLE-4-CARBOXYLIC ACID
Molecular formula
C7H4N2O2S
Molecular weight
180.19

Names & synonyms

RARECHEM AL BE 13144-Carboxy-2,1,3-benzothiadiazole1,2,3-Benzothiadiazole-4-carboxylicacid2,1,3-BENZOTHIADIAZOLE-4-CARBOXYLIC ACIDbenzo[1,2,5]thiadiazole-4-carboxylic acidBenzo[c][1,2,5]thiadiazole-4-carboxylicacid2,1,3-Benzothiadiazole-4-carboxylic acid ,97%

Database identifiers

CAS
3529-57-5
PubChem CID
2795202
DTXSID
DTXSID50383577
ChEMBL
CHEMBL5287718
EC Number
109-195-8、851-803-5
Nikkaji
J443.254A

Properties

Physicochemical properties

Melting point
145.5 °C · 145.5°C
Boiling point
368.748 · 368.748±15.00 °C(Press: 760.00 Torr)(predicted)
Density
1.609 · 1.609±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.
Sealed in dry,Room Temperature
pka
2.164 · 2.164±0.30(predicted)
Appearance
Light brown to brown Solid

Safety & regulation

Safety data

hs_code
29342000
risk_code
41-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-39-37/39

Chemistry & industry

Applications

Uses2,1,3-Benzothiadiazole-4-carboxylic Acid is a useful research chemical used as a reactant in the optimization of anthranilic sulfonamides and study of their activity as selective cholecystokinin-2 receptor antagonists.

Upstream & downstream products

Suppliers35 total

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
杭州奥得科技有限公司0571-88772972-0 15057128248 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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