16642-79-8

Name 3-(4-Nitrophenyl)propanoic acid
CAS 16642-79-8
EINECS(EC#) 672-244-1
Molecular Formula C9H9NO4
MDL Number MFCD00126834
Molecular Weight 195.17
MOL File 16642-79-8.mol
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Chemical Properties

Melting point  167-170°C
Boiling point  331.83°C (rough estimate)
density  1.3544 (rough estimate)
refractive index  1.5700 (estimate)
storage temp.  Sealed in dry,Room Temperature
form  solid
pka 4.47(at 25℃)
color  yellow
Water Solubility  Slightly soluble in water.
InChI InChI=1S/C9H9NO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-2,4-5H,3,6H2,(H,11,12)
InChIKey VZOPVJNBOQOLPN-UHFFFAOYSA-N
SMILES C1(CCC(O)=O)=CC=C([N+]([O-])=O)C=C1
CAS DataBase Reference 16642-79-8(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes  Xn
Risk Statements 
Safety Statements 
Hazard Note  Harmful
HS Code  29163990

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