Isopropyl 2-{[amino(isopropylsulfanyl)phosphoryl]oxy}benzoate
[CAS# 87647-73-2]

Identification

• Name: Isopropyl 2-{[amino(isopropylsulfanyl)phosphoryl]oxy}benzoate
• Synonyms: Benzoic acid, 2-((amino((1-methylethyl)thio)phosphinyl)oxy)-, 1-methylethyl ester; Salicylic acid, isopropyl ester, ester with S-isopropyl phosphoramidothioate
• Molecular Formula: C₁₃H₂₀NO₄PS
• Molecular Weight: 317.34
• CAS Registry Number: 87647-73-2
• SMILES: O=P(SC(C)C)(Oc1ccccc1C(=O)OC(C)C)N
• InChI: 1S/C13H20NO4PS/c1-9(2)17-13(15)11-7-5-6-8-12(11)18-19(14,16)20-10(3)4/h5-10H,1-4H3,(H2,14,16)
• InChIKey: ZRROJIQLXGBPLQ-UHFFFAOYSA-N

Properties

• Density: 1.221g/cm³ (Cal.)
• Boiling point: 435.452°C at 760 mmHg (Cal.)
• Flash point: 217.154°C (Cal.)