3,4-Furandicarboxylic acid
Basic information
- CAS
3387-26-6- Standard SMILES
O=C(O)c1cocc1C(=O)O- InChIKey
SYLAFCZSYRXBJF-UHFFFAOYSA-N- Molecular formula
- C6H4O5
- Average molar mass
- 156.09 g/mol
- Monoisotopic mass
- 156.00587322
Names & identifiers
- Preferred name
- 3,4-Furandicarboxylic acid
- IUPAC
- furan-3,4-dicarboxylic acid
- English name
- Furan-3,4-dicarboxylic acid
- Molecular formula
- C6H4O5
- Molecular weight
- 156.09
Names & synonyms
3,4-Furandicarboxylic acidFuran-3,4-dicarboxylic acidEINECS 222-210-3DTXSID00187502NSC 191922RefChem:91249DTXCID70109993222-210-3SYLAFCZSYRXBJF-UHFFFAOYSA-N3387-26-6MFCD00022465MLS003106999
Show more names
DK7286
NSC629037NSC-191922NSC-629037NSC191922Furan-3,4-dicarbonsure34-Furandicarboxylic AcidJ5A48RX2NNSCHEMBL36897
Database identifiers
- CAS
3387-26-6- PubChem CID
- 76923
- DTXSID
DTXSID00187502- ChEMBL
CHEMBL2132675- UNII
- J5A48RX2NN
- EC Number
- 222-210-3
- Nikkaji
- J100.842K
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 167
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Melting point
- 217 · 217-218 °C
- Boiling point
- 372.6 · 372.6±27.0 °C(Predicted)
- Density
- 1.604 · 1.604±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.29 · 3.29±0.20(Predicted)
- Appearance
- White to off-white Solid
- LogP
- 0.263 · 0.263 (est)
- FDA UNII
- 5 A48RX2NN · J5A48RX2NN
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Suppliers
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Related reactions
1 records
Compound notes
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