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116680-98-9

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116680-98-9 Structure

116680-98-9 Structure
IdentificationBack 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 PropertiesBack 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 DataBack Directory
[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 DetailBack Directory
[Spectrum Detail]

4-iodoBenzenepentanoic acid(116680-98-9)1HNMR
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