6,8-Difluoro-2,3,4,9-Tetrahydro-9-[[4-(Methylsulfonyl)Phenyl]Methyl]-,(-)-1H-Carbazole-1-Aceticacid
[CAS# 121083-05-4]

Identification

• Name: 6,8-Difluoro-2,3,4,9-Tetrahydro-9-[[4-(Methylsulfonyl)Phenyl]Methyl]-,(-)-1H-Carbazole-1-Aceticacid
• Synonyms: 2-[6,8-Difluoro-9-(4-Mesylbenzyl)-1,2,3,4-Tetrahydrocarbazol-1-Yl]Acetic Acid; 2-[6,8-Difluoro-9-[(4-Methylsulfonylphenyl)Methyl]-1,2,3,4-Tetrahydrocarbazol-1-Yl]Ethanoic Acid; L 670596
• Molecular Formula: C₂₂H₂₁F₂NO₄S
• Molecular Weight: 433.47
• CAS Registry Number: 121083-05-4
• SMILES: C1=C(F)C=C(F)C2=C1C4=C([N]2CC3=CC=C([S](=O)(=O)C)C=C3)C(CCC4)CC(=O)O
• InChI: 1S/C22H21F2NO4S/c1-30(28,29)16-7-5-13(6-8-16)12-25-21-14(9-20(26)27)3-2-4-17(21)18-10-15(23)11-19(24)22(18)25/h5-8,10-11,14H,2-4,9,12H2,1H3,(H,26,27)
• InChIKey: GMJWAIMJHBTYPD-UHFFFAOYSA-N

Properties

• Density: 1.43g/cm³ (Cal.)
• Boiling point: 693.437°C at 760 mmHg (Cal.)
• Flash point: 373.177°C (Cal.)
• solubility: Soluble to 100 mM in 1.1eq. NaOH