(2R,3R)-2-Methyl-3-(4H-1,2,4-triazol-4-yl)-2,3-dihydro-4H-chromen-4-one
[CAS# 810692-82-1]

Identification

• Name: (2R,3R)-2-Methyl-3-(4H-1,2,4-triazol-4-yl)-2,3-dihydro-4H-chromen-4-one
• Synonyms: (2R,3R)-2-methyl-3-(4H-1,2,4-triazol-4-yl)chroman-4-one; trans-2-methyl-3-(4H-1,2,4-triazol-4-yl)-2,3-dihydrochromen-4-one
• Molecular Formula: C₁₂H₁₁N₃O₂
• Molecular Weight: 229.23
• CAS Registry Number: 810692-82-1
• SMILES: C[C@@H]1[C@H](C(=O)C2=CC=CC=C2O1)N3C=NN=C3
• InChI: 1S/C12H11N3O2/c1-8-11(15-6-13-14-7-15)12(16)9-4-2-3-5-10(9)17-8/h2-8,11H,1H3/t8-,11-/m1/s1
• InChIKey: CXYPRKCHQDOSFQ-LDYMZIIASA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 440.2±55.0°C at 760 mmHg (Cal.)
• Flash point: 220.0±31.5°C (Cal.)
• Refractive index: 1.688 (Cal.)