4382-53-0

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4382-53-0 Structure

Identification	More
[Name] 5-BENZYLOXYINDOLE-3-ACETIC ACID
[CAS] 4382-53-0
[Synonyms] 5-BENZYLOXYINDOLE-3-ACETIC ACID RARECHEM AL BO 1284 TIMTEC-BB SBB003017 5-Benzyloxy-3-indoleaceticacid 5-BzlO-IAA
[Molecular Formula] C17H15NO3
[MDL Number] MFCD00022750
[Molecular Weight] 281.31
[MOL File] 4382-53-0.mol

Chemical Properties	Back Directory
[Melting point ] 147-149 °C(Solv: ethanol, 50% (64-17-5))
[Boiling point ] 533.2±40.0 °C(Predicted)
[density ] 1.314±0.06 g/cm3(Predicted)
[storage temp. ] 2-8°C
[form ] crystalline
[pka] 4.51±0.30(Predicted)
[color ] off-white to tan
[InChI] 1S/C17H15NO3/c19-17(20)8-13-10-18-16-7-6-14(9-15(13)16)21-11-12-4-2-1-3-5-12/h1-7,9-10,18H,8,11H2,(H,19,20)
[InChIKey] GKIOPUYLJUOZHJ-UHFFFAOYSA-N
[SMILES] OC(=O)Cc1c[nH]c2ccc(OCc3ccccc3)cc12
[CAS DataBase Reference] 4382-53-0(CAS DataBase Reference)

Safety Data	Back Directory
[Hazard Codes ] Xi
[Risk Statements ] 36/38
[Safety Statements ] 26
[WGK Germany ] 3
[HS Code ] 2933998090
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Eye Irrit. 2 Skin Irrit. 2

Hazard Information	Back Directory
[Uses] Reactant for preparation of: Inhibitors of Gli1-mediated transcription as potential anticancer agents Synthetic analogs of spider toxins
[Synthesis Reference(s)] Tetrahedron Letters, 35, p. 3013, 1994 DOI: 10.1016/S0040-4039(00)76815-8

Spectrum Detail	Back Directory
[Spectrum Detail] 5-BENZYLOXYINDOLE-3-ACETIC ACID(4382-53-0)¹HNMR

Well-known Reagent Company Product Information	Back Directory
[Sigma Aldrich] 4382-53-0(sigmaaldrich)

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