4-[(3-Oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]benzoic acid
[CAS# 857492-98-9]

Identification

• Name: 4-[(3-Oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]benzoic acid
• Synonyms: 4-((3-oxo-2H-benzo[b][1,4]oxazin-4(3H)-yl)methyl)benzoic acid; 4-(3-Oxo-2,3-dihydro-benzo[1,4]oxazin-4-ylmethyl)-benzoic acid; 4-(4-Carboxybenzyl)-2H-1,4-benzoxazin-3(4H)-one
• Molecular Formula: C₁₆H₁₃NO₄
• Molecular Weight: 283.28
• CAS Registry Number: 857492-98-9
• SMILES: C1C(=O)N(C2=CC=CC=C2O1)CC3=CC=C(C=C3)C(=O)O
• InChI: 1S/C16H13NO4/c18-15-10-21-14-4-2-1-3-13(14)17(15)9-11-5-7-12(8-6-11)16(19)20/h1-8H,9-10H2,(H,19,20)
• InChIKey: YVNJRPNQFNUCKP-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 589.0±50.0°C at 760 mmHg (Cal.)
• Flash point: 310.0±30.1°C (Cal.)
• Refractive index: 1.652 (Cal.)

Safety Data

• Safety Code: S26;S37;S60
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: IRRITANT