Methyl 2-[(2-Methoxy-2-Oxoethyl)Thio]-5-Nitrobenzoate
[CAS# 26759-51-3]

Identification

• Name: Methyl 2-[(2-Methoxy-2-Oxoethyl)Thio]-5-Nitrobenzoate
• Synonyms: Methyl 2-(2-Methoxy-2-Oxo-Ethyl)Sulfanyl-5-Nitro-Benzoate; 2-[(2-Methoxy-2-Oxoethyl)Thio]-5-Nitrobenzoic Acid Methyl Ester; 2-[(2-Keto-2-Methoxy-Ethyl)Thio]-5-Nitro-Benzoic Acid Methyl Ester
• Molecular Formula: C₁₁H₁₁NO₆S
• Molecular Weight: 285.27
• CAS Registry Number: 26759-51-3
• EINECS: 247-971-9
• SMILES: C1=C([N+]([O-])=O)C=CC(=C1C(OC)=O)SCC(OC)=O
• InChI: 1S/C11H11NO6S/c1-17-10(13)6-19-9-4-3-7(12(15)16)5-8(9)11(14)18-2/h3-5H,6H2,1-2H3
• InChIKey: PJPCSHBTNKBEBS-UHFFFAOYSA-N

Properties

• Density: 1.398g/cm³ (Cal.)
• Boiling point: 417.947°C at 760 mmHg (Cal.)
• Flash point: 206.567°C (Cal.)