Isopropyl 2-{[amino(methylsulfanyl)phosphoryl]oxy}benzoate
[CAS# 87647-71-0]

Identification

• Name: Isopropyl 2-{[amino(methylsulfanyl)phosphoryl]oxy}benzoate
• Synonyms: Benzoic acid, 2-((amino(methylthio)phosphinyl)oxy)-, 1-methylethyl ester; Salicylic acid, isopropyl ester, ester with S-methyl phosphoramidothioate
• Molecular Formula: C₁₁H₁₆NO₄PS
• Molecular Weight: 289.29
• CAS Registry Number: 87647-71-0
• SMILES: O=P(SC)(Oc1ccccc1C(=O)OC(C)C)N
• InChI: 1S/C11H16NO4PS/c1-8(2)15-11(13)9-6-4-5-7-10(9)16-17(12,14)18-3/h4-8H,1-3H3,(H2,12,14)
• InChIKey: FWLHBSFXKAQIGQ-UHFFFAOYSA-N

Properties

• Density: 1.277g/cm³ (Cal.)
• Boiling point: 417.327°C at 760 mmHg (Cal.)
• Flash point: 206.192°C (Cal.)