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4-(3 5-Difluorophenyl)-4-oxobutyric acid Structure

4-(3 5-Difluorophenyl)-4-oxobutyric acid

  • Product Name4-(3 5-Difluorophenyl)-4-oxobutyric acid
  • CAS302912-30-7
  • CBNumberCB4504445
  • MFC10H8F2O3
  • MW214.17
  • MDL NumberMFCD01320074
  • MOL File302912-30-7.mol

Chemical Properties

Melting point: 116-119 °C (lit.)
Boiling point: 366.3±32.0 °C(Predicted)
Density  1.363±0.06 g/cm3(Predicted)
pka 4.31±0.17(Predicted)
InChI 1S/C10H8F2O3/c11-7-3-6(4-8(12)5-7)9(13)1-2-10(14)15/h3-5H,1-2H2,(H,14,15)
InChIKey SSBFKGDYTIRSOC-UHFFFAOYSA-N
SMILES OC(=O)CCC(=O)c1cc(F)cc(F)c1

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs Respiratory system
PPE dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  3
HS Code  2918300090
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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4-(3 5-Difluorophenyl)-4-oxobutyric acid Spectrum