3-Hydroxy-5-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Benzoic Acid
[CAS# 232595-59-4]

Identification

• Name: 3-Hydroxy-5-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Benzoic Acid
• Synonyms: 3-((tert-butoxycarbonyl)amino)-5-hydroxybenzoic acid; 3-(N-Boc-Amino)-5-hydroxybenzoic Acid; 3-[(tert-butoxy)carbonylamino]-5-hydroxybenzoic acid
• Molecular Formula: C₁₂H₁₅NO₅
• Molecular Weight: 253.25
• CAS Registry Number: 232595-59-4
• SMILES: Oc1cc(cc(NC(=O)OC(C)(C)C)c1)C(O)=O
• InChI: 1S/C12H15NO5/c1-12(2,3)18-11(17)13-8-4-7(10(15)16)5-9(14)6-8/h4-6,14H,1-3H3,(H,13,17)(H,15,16)
• InChIKey: KSTCXQVSGVVIAO-UHFFFAOYSA-N

Properties

• Density: 1.337g/cm³ (Cal.)
• Melting point: 150-151°C (Expl.)
• Boiling point: 395.752°C at 760 mmHg (Cal.)
• Flash point: 193.144°C (Cal.)
• Refractive index: 1.601 (Cal.)

Safety Data

• Safety Description: Toxic/Harmful/Irritant