tert-butyl 3-(2-methyl-4-nitro-phenoxy)benzoate
[CAS# 799242-32-3]

Identification

• Name: tert-butyl 3-(2-methyl-4-nitro-phenoxy)benzoate
• Synonyms: Benzoic acid, 3-(2-methyl-4-nitrophenoxy)-, 1,1-dimethylethyl ester
• Molecular Formula: C₁₈H₁₉NO₅
• Molecular Weight: 329.35
• CAS Registry Number: 799242-32-3
• SMILES: Cc1cc(ccc1Oc2cccc(c2)C(=O)OC(C)(C)C)[N+](=O)[O-]
• InChI: 1S/C18H19NO5/c1-12-10-14(19(21)22)8-9-16(12)23-15-7-5-6-13(11-15)17(20)24-18(2,3)4/h5-11H,1-4H3
• InChIKey: WMCISFZPQFLMCP-UHFFFAOYSA-N

Properties

• Density: 1.195g/cm³ (Cal.)
• Boiling point: 433.125°C at 760 mmHg (Cal.)
• Flash point: 163.858°C (Cal.)
• Refractive index: 1.565 (Cal.)