4-(1,2,3-Thiadiazol-4-yl)benzoic acid

Base Information

• Chemical Name: 4-(1,2,3-Thiadiazol-4-yl)benzoic acid
• CAS No.: 187999-31-1
• Molecular Formula: C9H6N2O2S
• Molecular Weight: 206.22
• Hs Code.: 29349990
• European Community (EC) Number: 630-280-5
• DSSTox Substance ID: DTXSID30380089
• Wikidata: Q72508189
• Mol file: 187999-31-1.mol

Synonyms:4-(1,2,3-Thiadiazol-4-yl)benzoic acid;187999-31-1;4-(thiadiazol-4-yl)benzoic Acid;Benzoic acid, 4-(1,2,3-thiadiazol-4-yl)-;Oprea1_067645;SCHEMBL399793;DTXSID30380089;ZSLQSWJLGAVDIX-UHFFFAOYSA-N;MFCD00085167;AKOS004117855;PS-4285;4-[1,2,3]thiadiazol-4-yl-benzoic acid;CS-0217988;FT-0616442;EN300-96570;J-012108;4-(1,2,3-thiadiazol-4-yl)benzoic acid, AldrichCPR;Z1269242653

Chemical Property of 4-(1,2,3-Thiadiazol-4-yl)benzoic acid

Chemical Property:

• Vapor Pressure: 1.21E-07mmHg at 25°C
• Melting Point: 230 °C
• Refractive Index: 1.651
• Boiling Point: 415.4 °C at 760 mmHg
• Flash Point: 205 °C
• PSA: 91.32000
• Density: 1.44g/cm³
• LogP: 1.90330
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 206.01499861
• Heavy Atom Count: 14
• Complexity: 217

Purity/Quality:

98%min ^*data from raw suppliers

4-(1,2,3-Thiadiazol-4-yl)benzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CSN=N2)C(=O)O