N<SUB>&#945;</SUB>-(2,4-Dinitro-5-fluorophenyl)-<SC>L</SC>-alaninamide , ≥95.0%(HPLC) , 95713-52-3

Synonym(s):
FDAA;Marfey’s reagent

CAS NO.：95713-52-3

Empirical Formula: C9H9FN4O5

Molecular Weight: 272.19

MDL number: MFCD00042049

PRODUCT Properties

• Melting point: 229 °C
• Boiling point: 544.5±50.0 °C(Predicted)
• Density: 1.592±0.06 g/cm3(Predicted)
• storage temp.: 2-8°C
• solubility: acetone: 10 mg/mL, clear, yellow
• form: powder
• pka: 15.61±0.50(Predicted)
• color: yellow to orange
• optical activity: [α]20/D +56±2°, c = 1% in acetone
• BRN: 6820069
• InChI: InChI=1S/C9H9FN4O5/c1-4(9(11)15)12-6-2-5(10)7(13(16)17)3-8(6)14(18)19/h2-4,12H,1H3,(H2,11,15)/t4-/m0/s1
• InChIKey: NEPLBHLFDJOJGP-BYPYZUCNSA-N
• SMILES: C(N)(=O)[C@@H](NC1=CC(F)=C([N+]([O-])=O)C=C1[N+]([O-])=O)C

Description and Uses

FDAA was used as derivatizing reagent, in a study performed to understand unusual amino acids using reversed phase high performance liquid chromatography-electrospray ionization mass spectrometry (RPHPLC-ESI-MS).

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• HS Code: 29242990