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1,4-Benzodioxan-2-carboxylic acid Structure

1,4-Benzodioxan-2-carboxylic acid

  • Product Name1,4-Benzodioxan-2-carboxylic acid
  • CAS3663-80-7
  • CBNumberCB5222957
  • MFC9H8O4
  • MW180.16
  • EINECS609-276-2
  • MDL NumberMFCD00084888
  • MOL File3663-80-7.mol

Chemical Properties

Melting point: 126-130 °C(lit.)
Boiling point: 347.2±41.0 °C(Predicted)
Density  1.379±0.06 g/cm3(Predicted)
vapor pressure  0Pa at 25℃
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 2.69±0.20(Predicted)
color  White to Off-White
Water Solubility  7.63g/L at 20℃
λmax 282nm(MeOH)(lit.)
InChI InChI=1S/C9H8O4/c10-9(11)8-5-12-6-3-1-2-4-7(6)13-8/h1-4,8H,5H2,(H,10,11)
InChIKey HMBHAQMOBKLWRX-UHFFFAOYSA-N
SMILES O1C2=CC=CC=C2OCC1C(O)=O
LogP 0.5 at 20℃
CAS DataBase Reference 3663-80-7(CAS DataBase Reference)

Safety

Symbol(GHS)  Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
Signal word  Danger
Hazard statements  H302-H318
Precautionary statements  P264-P270-P280-P301+P312-P305+P351+P338-P501
PPE Eyeshields, Gloves, type N95 (US)
Risk Statements  36/37/38
Safety Statements  24/25
WGK Germany  3
Hazard Note  Irritant
HS Code  2932999099
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Dam. 1
REACH Registrations Inactive
NFPA 704:
0
2 0

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