459-31-4

Name 3-(4-FLUOROPHENYL)PROPIONIC ACID
CAS 459-31-4
EINECS(EC#) 670-328-2
Molecular Formula C9H9FO2
MDL Number MFCD00060327
Molecular Weight 168.16
MOL File 459-31-4.mol
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Chemical Properties

Appearance white to off-white crystalline powder or crystals
Melting point  86-91 °C (lit.)
Boiling point  105-107 °C(Press: 22 Torr)
density  1.222±0.06 g/cm3(Predicted)
storage temp.  Inert atmosphere,Room Temperature
solubility  slightly sol. in Methanol
form  Crystalline Powder or Crystals
pka 4?+-.0.10(Predicted)
color  White to off-white
BRN  1869084
InChI InChI=1S/C9H9FO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)
InChIKey ZMKXWDPUXLPHCA-UHFFFAOYSA-N
SMILES C1(CCC(O)=O)=CC=C(F)C=C1
CAS DataBase Reference 459-31-4(CAS DataBase Reference)
NIST Chemistry Reference 3-(4-Fluorophenyl)propionic acid(459-31-4)

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  C,Xi
Risk Statements 
R34:Causes burns.
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
WGK Germany  3
Hazard Note  Corrosive
HazardClass  IRRITANT
HS Code  29163990
Storage Class 13 - Non Combustible Solids

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