54136-25-3

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54136-25-3 Structure

Identification	Back Directory
[Name] 5-iodo-2,3,3-trimethyl-3H-indole
[CAS] 54136-25-3
[Synonyms] 5-iodo-2,3,3-trimethyl-3H-indole 3H-Indole, 5-iodo-2,3,3-trimethyl-
[Molecular Formula] C11H12IN
[MDL Number] MFCD25964381
[MOL File] 54136-25-3.mol
[Molecular Weight] 285.12

Chemical Properties	Back Directory
[Boiling point ] 306.5±42.0 °C(Predicted)
[density ] 1.60±0.1 g/cm3(Predicted)
[storage temp. ] 2-8°C, protect from light
[pka] 5.00±0.40(Predicted)
[Appearance] Light brown to brown Viscous liquid
[InChI] InChI=1S/C11H12IN/c1-7-11(2,3)9-6-8(12)4-5-10(9)13-7/h4-6H,1-3H3
[InChIKey] GCSMQZIBGLQVLL-UHFFFAOYSA-N
[SMILES] N1C2=C(C=C(I)C=C2)C(C)(C)C=1C

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302-H317
[Precautionary statements ] P280-P305+P351+P338

Spectrum Detail	Back Directory
[Spectrum Detail] 5-iodo-2,3,3-trimethyl-3H-indole(54136-25-3)¹HNMR

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