1878-71-3

Name 3-CYANOPHENYLACETIC ACID
CAS 1878-71-3
Molecular Formula C9H7NO2
MDL Number MFCD06411079
Molecular Weight 161.16
MOL File 1878-71-3.mol
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Chemical Properties

Melting point  113-117 °C(lit.)
Boiling point  342.1±17.0 °C(Predicted)
density  1.26±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
form  Powder or Crystalline Powder
pka 4.08±0.10(Predicted)
color  White to brown
InChI InChI=1S/C9H7NO2/c10-6-8-3-1-2-7(4-8)5-9(11)12/h1-4H,5H2,(H,11,12)
InChIKey ZNXMNKGBHYVNNE-UHFFFAOYSA-N
SMILES C1(CC(O)=O)=CC=CC(C#N)=C1

Safety Data

Hazard Codes  Xn
Risk Statements 
Safety Statements 
WGK Germany  3
HS Code  29269090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Skin Sens. 1

Spectrum Detail

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