4-Chloro-3-Ethoxy-7-Guanidinoisocoumarin
[CAS# 113251-10-8]

Identification

• Name: 4-Chloro-3-Ethoxy-7-Guanidinoisocoumarin
• Synonyms: 2-(4-Chloro-3-Ethoxy-1-Oxo-Isochromen-7-Yl)Guanidine; 2-(4-Chloro-3-Ethoxy-1-Oxo-7-Isochromenyl)Guanidine; 2-(4-Chloro-3-Ethoxy-1-Keto-Isochromen-7-Yl)Guanidine
• Molecular Formula: C₁₂H₁₂ClN₃O₃
• Molecular Weight: 281.70
• CAS Registry Number: 113251-10-8
• SMILES: C1=C(N=C(N)N)C=CC2=C1C(OC(=C2Cl)OCC)=O
• InChI: 1S/C12H12ClN3O3/c1-2-18-11-9(13)7-4-3-6(16-12(14)15)5-8(7)10(17)19-11/h3-5H,2H2,1H3,(H4,14,15,16)
• InChIKey: YFGMFEAGVQMIFH-UHFFFAOYSA-N

Properties

• Density: 1.516g/cm³ (Cal.)
• Boiling point: 549.397°C at 760 mmHg (Cal.)
• Flash point: 286.065°C (Cal.)