Isopropyl 3-Nitro-p-Toluate
[CAS# 22913-12-8]

Identification

• Name: Isopropyl 3-Nitro-p-Toluate
• Synonyms: Isopropyl 4-Methyl-3-Nitro-Benzoate; 4-Methyl-3-Nitrobenzoic Acid Isopropyl Ester; 4-Methyl-3-Nitro-Benzoic Acid Isopropyl Ester
• Molecular Formula: C₁₁H₁₃NO₄
• Molecular Weight: 223.23
• CAS Registry Number: 22913-12-8
• EINECS: 245-320-3
• SMILES: C1=CC(=C(C=C1C(OC(C)C)=O)[N+]([O-])=O)C
• InChI: 1S/C11H13NO4/c1-7(2)16-11(13)9-5-4-8(3)10(6-9)12(14)15/h4-7H,1-3H3
• InChIKey: RRJBUFUVPLLLJD-UHFFFAOYSA-N

Properties

• Density: 1.182g/cm³ (Cal.)
• Boiling point: 320.333°C at 760 mmHg (Cal.)
• Flash point: 134.254°C (Cal.)