2-[2,4-Bis(1,1-Dimethylpropyl)Phenoxy]-5-Nitrobenzoic Acid
[CAS# 63123-17-1]

Identification

• Name: 2-[2,4-Bis(1,1-Dimethylpropyl)Phenoxy]-5-Nitrobenzoic Acid
• Synonyms: 2-[2,4-Bis(1,1-Dimethylpropyl)Phenoxy]-5-Nitro-Benzoic Acid; 2-[2,4-Bis(1,1-Dimethylpropyl)Phenoxy]-5-Nitrobenzoic Acid; 2-(2,4-Ditert-Amylphenoxy)-5-Nitro-Benzoic Acid
• Molecular Formula: C₂₃H₂₉NO₅
• Molecular Weight: 399.49
• CAS Registry Number: 63123-17-1
• SMILES: C1=CC(=C(C=C1[N+]([O-])=O)C(=O)O)OC2=C(C=C(C=C2)C(CC)(C)C)C(CC)(C)C
• InChI: 1S/C23H29NO5/c1-7-22(3,4)15-9-11-20(18(13-15)23(5,6)8-2)29-19-12-10-16(24(27)28)14-17(19)21(25)26/h9-14H,7-8H2,1-6H3,(H,25,26)
• InChIKey: CJWHTIHYKSLYDE-UHFFFAOYSA-N

Properties

• Density: 1.139g/cm³ (Cal.)
• Boiling point: 466.674°C at 760 mmHg (Cal.)
• Flash point: 236.036°C (Cal.)