Diethyl 2,5-furandicarboxylate
Basic information
- CAS
53662-83-2- Standard SMILES
CCOC(=O)c1ccc(C(=O)OCC)o1- InChIKey
PHGMGTWRSNXLDV-UHFFFAOYSA-N- Molecular formula
- C10H12O5
- Average molar mass
- 212.2 g/mol
- Monoisotopic mass
- 212.06847348
Names & identifiers
- Preferred name
- Diethyl 2,5-furandicarboxylate
- IUPAC
- diethyl furan-2,5-dicarboxylate
- English name
- 2,5-FURANDICARBOXYLIC ACID DIETHYL ESTER
- Molecular formula
- C10H12O5
- Molecular weight
- 212.2
Names & synonyms
Diethyl 2,5-furandicarboxylateRefChem:587074814-030-4diethyl furan-2,5-dicarboxylate53662-83-22,5-FURANDICARBOXYLIC ACID DIETHYL ESTERMFCD004494572,5-DIETHYL FURAN-2,5-DICARBOXYLATEfuran-2,5-dicarboxylic acid diethyl esterDiethylfuran-2,5-dicarboxylate2,5-Furandicarboxylic diethyl ester2,5-Furandicarboxylic acid, diethyl ester
Show more names
2,5-Furandicarboxylic acid, 2,5-diethyl ester
SCHEMBL449698DTXSID90344506PHGMGTWRSNXLDV-UHFFFAOYSA-NAKOS015918302Diethyl furan-2,5-dicarboxylate 99%FF23621SB60965AC-22972
Database identifiers
- CAS
53662-83-2- PubChem CID
- 597465
- DTXSID
DTXSID90344506- EC Number
- 814-030-4
- Nikkaji
- J1.393.375H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 214
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 46 · 46-48°C
- Boiling point
- 167 · 167-1680C/15Torr
- Density
- 1.172 · 1.172±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2932190090 · 2932190090
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
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2932190090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2,5-Furandicarboxylic Acid Diethyl Ester (cas# 53662-83-2) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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Compound notes
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