116680-98-9

Name 4-iodoBenzenepentanoic acid
CAS 116680-98-9
Molecular Formula C11H13IO2
Molecular Weight 304.12
MOL File 116680-98-9.mol
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Chemical Properties

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

Symbol(GHS)  Exclamation Mark (GHS07)
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

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