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4382-53-0

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4382-53-0 Structure

4382-53-0 Structure
IdentificationMore
[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 PropertiesBack 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 DataBack 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 InformationBack 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 DetailBack Directory
[Spectrum Detail]

5-BENZYLOXYINDOLE-3-ACETIC ACID(4382-53-0)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

4382-53-0(sigmaaldrich)
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