Methyl 3-Iodo-5-Methylbenzoate
[CAS# 597563-45-6]

Identification

• Name: Methyl 3-Iodo-5-Methylbenzoate
• Synonyms: 3-Iodo-5-méthylbenzoate de méthyle; 3-Iodo-5-methyl-benzoic acid methyl ester; Benzoic acid, 3-iodo-5-methyl-, methyl ester
• Molecular Formula: C₉H₉IO₂
• Molecular Weight: 276.07
• CAS Registry Number: 597563-45-6
• SMILES: CC1=CC(=CC(=C1)I)C(=O)OC
• InChI: 1S/C9H9IO2/c1-6-3-7(9(11)12-2)5-8(10)4-6/h3-5H,1-2H3
• InChIKey: WNZCQUCEIGXSQK-UHFFFAOYSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Boiling point: 308.0±30.0°C at 760 mmHg (Cal.)
• Flash point: 140.1±24.6°C (Cal.)
• Refractive index: 1.588 (Cal.)