5-Aminoisatoic anhydride

Base Information

• Chemical Name: 5-Aminoisatoic anhydride
• CAS No.: 169037-24-5
• Molecular Formula: C8H6N2O3
• Molecular Weight: 178.147
• Hs Code.: 2934999090
• European Community (EC) Number: 625-772-1
• DSSTox Substance ID: DTXSID30937577
• Nikkaji Number: J1.217.703H
• Wikidata: Q82913796
• Mol file: 169037-24-5.mol

Synonyms:5-Aminoisatoic anhydride;169037-24-5;6-amino-1H-benzo[d][1,3]oxazine-2,4-dione;5-Aminoisatoic anhydride, tech.;6-amino-1H-3,1-benzoxazine-2,4-dione;5-aminoisatoicanhydride;5-amino isatoic anhydride;5-amino-isatoic anhydride;SCHEMBL1147630;DTXSID30937577;QEQDLBKVHJXPJA-UHFFFAOYSA-N;MFCD00060534;AKOS006222981;CS-0200051;FT-0676225;FT-0754481;6-Amino-2-hydroxy-4H-3,1-benzoxazin-4-one;6-Amino-4H-3,1-benzoxazine-2,4(1H)-dione;6-Amino-2H-benzo[d][1,3]oxazine-2,4(1H)-dione;J-010501;6-amino-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione

Chemical Property of 5-Aminoisatoic anhydride

Chemical Property:

• Melting Point: >300 °C(lit.)
• Refractive Index: 1.65
• PKA: 10.46±0.20(Predicted)
• PSA: 89.09000
• Density: 1.501 g/cm³
• LogP: 0.64470
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 178.03784206
• Heavy Atom Count: 13
• Complexity: 254

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Aminoisatoic anhydride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38-43
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1N)C(=O)OC(=O)N2
• Uses: Reactant for:β-cyclodextrin catalyzed synthesis of tryptanthrin and its analogs in waterSynthesis of amino-chloroquinolyl derivatives as antimalarial agents