116680-98-9

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116680-98-9 Structure

Identification	Back Directory
[Name] 4-iodoBenzenepentanoic acid
[CAS] 116680-98-9
[Synonyms] 4-iodoBenzenepentanoic acid Benzenepentanoic acid, 4-iodo-
[Molecular Formula] C11H13IO2
[MOL File] 116680-98-9.mol
[Molecular Weight] 304.12

Chemical Properties	Back Directory
[Melting point ] 109.5-110.5 °C
[Boiling point ] 386.9±25.0 °C(Predicted)
[density ] 1.613±0.06 g/cm3(Predicted)
[pka] 4.73±0.10(Predicted)
[InChI] InChI=1S/C11H13IO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h5-8H,1-4H2,(H,13,14)
[InChIKey] AVVFIQYGBUOFDN-UHFFFAOYSA-N
[SMILES] C1(CCCCC(O)=O)=CC=C(I)C=C1

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H315-H335-H319
[Precautionary statements ] P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Spectrum Detail	Back Directory
[Spectrum Detail] 4-iodoBenzenepentanoic acid(116680-98-9)¹HNMR

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