58573-94-7

Name 4-(4'-N-HEPTYLPHENYL)BENZOIC ACID
CAS 58573-94-7
Molecular Formula C20H24O2
MDL Number MFCD00143231
Molecular Weight 296.4
MOL File 58573-94-7.mol
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Chemical Properties

Boiling point  449.9±34.0 °C(Predicted)
density  1.048±0.06 g/cm3(Predicted)
solubility  almost transparency in hot EtOH
form  powder to crystal
pka 4.23±0.10(Predicted)
color  White to Almost white
InChI InChI=1S/C20H24O2/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20(21)22/h8-15H,2-7H2,1H3,(H,21,22)
InChIKey XVROSBHWACAQRL-UHFFFAOYSA-N
SMILES C1(C2=CC=C(CCCCCCC)C=C2)=CC=C(C(O)=O)C=C1
CAS DataBase Reference 58573-94-7(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319
Precautionary statements  P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
HS Code  2916.31.5000

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