2,1,3-benzothiadiazole-4-carboxylic acid (CAS: 3529-57-5) - Chemical Structure and Molecular Formula
2,1,3-benzothiadiazole-4-carboxylic acid (CAS: 3529-57-5) - Chemical Structure Thumbnail

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

Catalog No:   FT-0760081

CAS No:   3529-57-5

  • Chemical Name:  2,1,3-benzothiadiazole-4-carboxylic acid
  • Molecular Formula:  C7H4N2O2S
  • Molecular Weight:  180.19
  • InChI Key:  ZGDGZMOKXTUMEV-UHFFFAOYSA-N
  • InChI:  InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)9-12-8-5/h1-3H,(H,10,11)
Product pricing and availability information
Assay Pack Size Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Bolling_Point: 368.7ºC at 760mmHg
CAS: 3529-57-5
MF: C7H4N2O2S
Density: 1.608g/cm3
Melting_Point: 145.5ºC
Product_Name: 2,1,3-benzothiadiazole-4-carboxylic acid
Flash_Point: 176.8ºC
FW: 180.18400
MF: C7H4N2O2S
Density: 1.608g/cm3
Computational_Chemistry: ['1. XlogP :13 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 913 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :200 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
More_Info: ['1 . Melting point（ºC）1455']
Exact_Mass: 179.99900
Flash_Point: 176.8ºC
PSA: 91.32000
Molecular_Structure: ['1 . Molar refractive index 4750 ', '2 . Molar volume 1187 ', '3 . Parachor （902K）3505 ', '4 . Surface tension 758 ', '5 . Polarizability 1883']
LogP: 1.38950
Melting_Point: 145.5ºC
Bolling_Point: 368.7ºC at 760mmHg
FW: 180.18400
Refractive_Index: 1.749
Hazard_Codes: Xi:Irritant;
HS_Code: 2934999090
Risk_Statements(EU): R36/37/38
Safety_Statements: S26-S37/39

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