3-Butoxy-4-Nitrobenzoic Acid
[CAS# 72101-53-2]

Identification

• Name: 3-Butoxy-4-Nitrobenzoic Acid
• Synonyms: 3-Butoxy-4-Nitro-Benzoic Acid; St5443049; Benzoic Acid, 3-Butoxy-4-Nitro-
• Molecular Formula: C₁₁H₁₃NO₅
• Molecular Weight: 239.23
• CAS Registry Number: 72101-53-2
• SMILES: C1=C(C(O)=O)C=CC(=C1OCCCC)[N+](=O)[O-]
• InChI: 1S/C11H13NO5/c1-2-3-6-17-10-7-8(11(13)14)4-5-9(10)12(15)16/h4-5,7H,2-3,6H2,1H3,(H,13,14)
• InChIKey: RITZSLUFIIRTTQ-UHFFFAOYSA-N

Properties

• Density: 1.277g/cm³ (Cal.)
• Boiling point: 422.441°C at 760 mmHg (Cal.)
• Flash point: 209.285°C (Cal.)