5-(Pyrrolidin-1-yl)furan-2-carbaldehyde
Basic information
- CAS
84966-28-9- Standard SMILES
O=Cc1ccc(N2CCCC2)o1- InChIKey
TZLGFEAULCWLDT-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- 5-(Pyrrolidin-1-yl)furan-2-carbaldehyde
- IUPAC
- 5-pyrrolidin-1-ylfuran-2-carbaldehyde
- English name
- 5-Pyrrolidin-1-yl-2-furaldehyde
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.19
Names & synonyms
84966-28-95-(pyrrolidin-1-yl)furan-2-carbaldehydeDTXSID80355444RefChem:300678DTXCID50306504677-045-35-pyrrolidin-1-yl-2-furaldehyde5-pyrrolidin-1-ylfuran-2-carbaldehyde5-Pyrrolidin-1-yl-furan-2-carbaldehydeMFCD026296195-(1-PYRROLIDINYL)-2-FURALDEHYDE5-(1-Pyrrolidinyl)furan-2-carbaldehyde
Show more names
2-Furancarboxaldehyde, 5-(1-pyrrolidinyl)-
5-(1-pyrrolidinyl)-2-furancarboxaldehyde5-(1-Pyrrolidino)-2-furaldehyde5-pyrrolidinylfuran-2-carbaldehyde5-(Pyrrolidin-1-yl)5-pyrrolidin-1-yl-2-furaldehyde(saltdata: free)Oprea1_103594Oprea1_569028MLS000688744
Database identifiers
- CAS
84966-28-9- PubChem CID
- 801481
- DTXSID
DTXSID80355444- ChEMBL
CHEMBL1425127- EC Number
- 677-045-3
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 33.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Melting point
- 82 · 82-84℃
- Boiling point
- 315.3 · 315.3±27.0 °C(Predicted)
- Density
- 1.193 · 1.193±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 2.58 · 2.58±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
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)
Aggregated GHS information provided per 5 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
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Suppliers
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Related reactions
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Compound notes
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