Benzoylpas

Base Information

• Chemical Name: Benzoylpas
• CAS No.: 528-96-1
• Molecular Formula: C14H11 N O4 . 1/2 Ca
• Molecular Weight: 552.5546
• European Community (EC) Number: 208-445-4
• NSC Number: 759125,159686
• UNII: XEE879L727
• DSSTox Substance ID: DTXSID8046406
• Nikkaji Number: J8.454I
• Wikidata: Q27293812
• NCI Thesaurus Code: C73820
• ChEMBL ID: CHEMBL1487804
• Mol file: 528-96-1.mol

Synonyms:4-(benzoylamino)-2-hydroxybenzoic acid;4-(benzoylamino)-2-hydroxybenzoic acid, calcium salt;4-benzamidosalicylic acid;Bepask;para-benzoylaminosalicylate

Chemical Property of Benzoylpas

Chemical Property:

• Vapor Pressure: 2.58E-06mmHg at 25°C
• Boiling Point: 375.8°Cat760mmHg
• Flash Point: 181.1°C
• PSA: 86.63000
• Density: g/cm³
• LogP: 2.41570
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 257.06880783
• Heavy Atom Count: 19
• Complexity: 338

Purity/Quality:

98%min ^*data from raw suppliers

CALCIUM BENZAMIDOSALICYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C(=O)O)O
• Uses: Antibacterial (tuberculostatic).