5-Bromo-4-Chloro-1H-Indol-3-Yl L-Alaninate Trifluoroacetate (1:1)
[CAS# 207725-18-6]

Identification

• Name: 5-Bromo-4-Chloro-1H-Indol-3-Yl L-Alaninate Trifluoroacetate (1:1)
• Synonyms: A-4600; L-Alanine-5-bromo- 4-chloro-3- indoxyl ester, trifluoroacetate salt
• Molecular Formula: C₁₃H₁₁BrClF₃N₂O₄
• Molecular Weight: 431.59
• CAS Registry Number: 207725-18-6
• SMILES: CC(C(=O)Oc1c[nH]c2c1c(c(cc2)Br)Cl)N.C(=O)(C(F)(F)F)O
• InChI: 1S/C11H10BrClN2O2.C2HF3O2/c1-5(14)11(16)17-8-4-15-7-3-2-6(12)10(13)9(7)8;3-2(4,5)1(6)7/h2-5,15H,14H2,1H3;(H,6,7)/t5-;/m0./s1
• InChIKey: SNDTVRRPODUHAV-JEDNCBNOSA-N

Properties

• Boiling point: 555.1°C at 760 mmHg (Cal.)
• Flash point: 289.5°C (Cal.)
• Refractive index: (Cal.)