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3-Chloro-4-fluorobenzoic acid Structure

3-Chloro-4-fluorobenzoic acid

  • Product Name3-Chloro-4-fluorobenzoic acid
  • CAS403-16-7
  • CBNumberCB0267762
  • MFC7H4ClFO2
  • MW174.56
  • EINECS609-818-8
  • MDL NumberMFCD00042477
  • MOL File403-16-7.mol

Chemical Properties

Melting point: 133-135 °C(lit.)
Boiling point: 92°C/22mm
Density  1.4016 (estimate)
storage temp.  Sealed in dry,Room Temperature
pka 3.77±0.10(Predicted)
form  powder to crystal
color  White to Light yellow to Light orange
BRN  2574799
InChI InChI=1S/C7H4ClFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)
InChIKey PKTSBFXIHLYGEY-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=C(F)C(Cl)=C1
CAS DataBase Reference 403-16-7(CAS DataBase Reference)
EPA Substance Registry System Benzoic acid, 3-chloro-4-fluoro- (403-16-7)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H335-H315-H319
Precautionary statements  P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes  Xi,Xn
Risk Statements  36/37/38-20/21/22
Safety Statements  37/39-26-36-24/25
WGK Germany  3
TSCA  TSCA listed
HazardClass  IRRITANT
HS Code  2916399090
NFPA 704:
0
2 0

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3-Chloro-4-fluorobenzoic acid Spectrum