Methyl 5-(ethylsulfonyl)-2-methoxy-4-nitrobenzoate
[CAS# 80036-90-4]

Identification

• Name: Methyl 5-(ethylsulfonyl)-2-methoxy-4-nitrobenzoate
• Synonyms: methyl 5-(ethylsulphonyl)-4-nitro-o-anisate
• Molecular Formula: C₁₁H₁₃NO₇S
• Molecular Weight: 303.29
• CAS Registry Number: 80036-90-4
• EINECS: 279-379-1
• SMILES: COc1cc(c(cc1C(=O)OC)S(=O)(=O)CC)[N+]([O-])=O
• InChI: 1S/C11H13NO7S/c1-4-20(16,17)10-5-7(11(13)19-3)9(18-2)6-8(10)12(14)15/h5-6H,4H2,1-3H3
• InChIKey: RCOBUYURWGWJBZ-UHFFFAOYSA-N

Properties

• Density: 1.37g/cm³ (Cal.)
• Boiling point: 522.417°C at 760 mmHg (Cal.)
• Flash point: 269.748°C (Cal.)