5-Hydroxymethyl-furan-2-carboxylic acid Structure

5-Hydroxymethyl-furan-2-carboxylic acid

Chemical Properties

Melting point 247°C (dec.)
Boiling point 349.4±32.0 °C(Predicted)
Density  1.441±0.06 g/cm3(Predicted)
storage temp.  -20°C
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 3.11±0.10(Predicted)
color  White to Light Beige
Stability Light Sensitive, Very Hygroscopic
InChI 1S/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9)
InChIKey PCSKKIUURRTAEM-UHFFFAOYSA-N
SMILES [o]1c(ccc1C(=O)O)CO
LogP -0.550 (est)
FDA UNII JI63TD4992
Comptox DTXSID DTXSID5033098
UNSPSC Code 12352106
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319
Precautionary statements P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26
WGK Germany  WGK 3
HazardClass  IRRITANT
HS Code  2932190090
Storage Class 11 - Combustible Solids
NFPA 704:
0
2 0

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