Methyl 3-Iodo-4-Methyl-5-Nitrobenzoate
[CAS# 21323-99-9]

Identification

• Name: Methyl 3-Iodo-4-Methyl-5-Nitrobenzoate
• Synonyms: 3-Iodo-4-méthyl-5-nitrobenzoate de méthyle; 3-Iodo-4-methyl-5-nitromethyl benzoate; 3-IODO-4-METHYL-5-NITROMETHYLBENZOATE
• Molecular Formula: C₉H₈INO₄
• Molecular Weight: 321.07
• CAS Registry Number: 21323-99-9
• SMILES: CC1=C(C=C(C=C1I)C(=O)OC)[N+](=O)[O-]
• InChI: 1S/C9H8INO4/c1-5-7(10)3-6(9(12)15-2)4-8(5)11(13)14/h3-4H,1-2H3
• InChIKey: NSIQIHFMBPIMJT-UHFFFAOYSA-N

Properties

• Density: 1.8±0.1g/cm³ (Cal.)
• Boiling point: 377.3±42.0°C at 760 mmHg (Cal.)
• Flash point: 182.0±27.9°C (Cal.)
• Refractive index: 1.619 (Cal.)