2-Nitro-5-(6-Bromohexanoylamino)Benzoic Acid
[CAS# 98849-70-8]

Identification

• Name: 2-Nitro-5-(6-Bromohexanoylamino)Benzoic Acid
• Synonyms: 5-(6-Bromohexanoylamino)-2-Nitro-Benzoic Acid; 5-[(6-Bromo-1-Oxohexyl)Amino]-2-Nitrobenzoic Acid; 2-Nbhba
• Molecular Formula: C₁₃H₁₅BrN₂O₅
• Molecular Weight: 359.18
• CAS Registry Number: 98849-70-8
• SMILES: C1=C(NC(=O)CCCCCBr)C=CC(=C1C(=O)O)[N+]([O-])=O
• InChI: 1S/C13H15BrN2O5/c14-7-3-1-2-4-12(17)15-9-5-6-11(16(20)21)10(8-9)13(18)19/h5-6,8H,1-4,7H2,(H,15,17)(H,18,19)
• InChIKey: XTBKPURWMIKVPT-UHFFFAOYSA-N

Properties

• Density: 1.589g/cm³ (Cal.)
• Boiling point: 586.368°C at 760 mmHg (Cal.)
• Flash point: 308.425°C (Cal.)