6-Chloro-4-(2,3-Dihydroxypropyl)-2H-1,4-Benzoxazin-3(4H)-One
[CAS# 52042-27-0]

Identification

• Name: 6-Chloro-4-(2,3-Dihydroxypropyl)-2H-1,4-Benzoxazin-3(4H)-One
• Synonyms: 6-Chloro-4-Glyceryl-1,4-Benzoxazin-3-One; 2H-1,4-Benzoxazin-3(4H)-One, 6-Chloro-4-(2,3-Dihydroxypropyl)-; 3-Oxo-4-(2,3-Dihydroxypropyl)-6-Chloro-2,3-Dihydro-1,4-Benzoxazine
• Molecular Formula: C₁₁H₁₂ClNO₄
• Molecular Weight: 257.67
• CAS Registry Number: 52042-27-0
• SMILES: C1=C(Cl)C=CC2=C1N(C(=O)CO2)CC(O)CO
• InChI: 1S/C11H12ClNO4/c12-7-1-2-10-9(3-7)13(4-8(15)5-14)11(16)6-17-10/h1-3,8,14-15H,4-6H2
• InChIKey: XDCFGLSPLPULQH-UHFFFAOYSA-N

Properties

• Density: 1.462g/cm³ (Cal.)
• Boiling point: 586.981°C at 760 mmHg (Cal.)
• Flash point: 308.795°C (Cal.)