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3,4-Dichlorobenzoic acid Structure

3,4-Dichlorobenzoic acid

  • Product Name3,4-Dichlorobenzoic acid
  • CAS51-44-5
  • CBNumberCB3489640
  • MFC7H4Cl2O2
  • MW191.01
  • EINECS200-099-2
  • MDL NumberMFCD00002492
  • MOL File51-44-5.mol

Chemical Properties

Melting point: 204-206 °C (lit.)
Boiling point: 273.68°C (rough estimate)
Density  1.4410 (rough estimate)
refractive index  1.4590 (estimate)
storage temp.  Sealed in dry,Room Temperature
form  powder to crystal
pka 3.60±0.10(Predicted)
color  White to Almost white
Water Solubility  insoluble
BRN  2044777
Henry's Law Constant 2.1×101 mol/(m3Pa) at 25℃, Abraham and Jr. (2019)
InChI InChI=1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
InChIKey VPHHJAOJUJHJKD-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=C(Cl)C(Cl)=C1
CAS DataBase Reference 51-44-5(CAS DataBase Reference)
NIST Chemistry Reference Benzoic acid, 3,4-dichloro-(51-44-5)
EPA Substance Registry System 3,4-Dichlorobenzoic acid (51-44-5)

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  36/37/38-37/38-36
Safety Statements  26-36-37/39
WGK Germany  3
RTECS  DG7175000
Hazard Note  Irritant
TSCA  TSCA listed
HS Code  29163900
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704:
0
2 0

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