2-Acetyl-5-nitrofuran
Completing data — refresh the page later to see the latest
Basic information
- CAS
5275-69-4- Standard SMILES
CC(=O)c1ccc([N+](=O)[O-])o1- InChIKey
ORQQKSZUXNAWAX-UHFFFAOYSA-N- Molecular formula
- C6H5NO4
- Average molar mass
- 155.11 g/mol
- Monoisotopic mass
- 155.02185764
Overview
See also: 1-(5-Nitrofuran-2-yl)ethan-1-one (annotation moved to).
Names & identifiers
- Preferred name
- 2-Acetyl-5-nitrofuran
- IUPAC
- 1-(5-nitrofuran-2-yl)ethanone
- English name
- 2-Acetyl-5-nitrofuran
- Molecular formula
- C6H5NO4
- Molecular weight
- 155.11
Names & synonyms
2-Acetyl-5-nitrofuranKetone, methyl 5-nitro-2-furylFuran, 2-acetyl-5-nitro-Ethanone, 1-(5-nitro-2-furanyl)-5-Nitro-2-furyl methyl ketoneNSC 6455KETONE, (5-NITRO-2-FURYL) METHYLAI3-17337NSC 40160DTXSID10200736RefChem:255088DTXCID40123227
Show more names
Methyl(5-nitrofuran-2-yl) ketone
Ketone, methyl 5-nitro-2-furyl (8CI)Ethanone, 1-(5-nitro-2-furanyl)-(9CI)1-(5-nitrofuran-2-yl)ethanone5275-69-45-nitro-2-acetylfuran1-(5-nitrofuran-2-yl)ethan-1-oneCF78LD3XCG1-{5-nitro-2-furyl}ethanone
Database identifiers
- CAS
5275-69-4- PubChem CID
- 21348
- DTXSID
DTXSID10200736- UNII
- CF78LD3XCG
- Nikkaji
- J49.583B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Melting point
- 78.5 °C · 78.5 °C
- Boiling point
- 278.88 °C · 278.88°C (rough estimate)
- Density
- 1.5553 · 1.5553 (rough estimate)
- refractive index
- 1.5423 · 1.5423 (estimate)
- FDA UNII
- 78 LD3XCG · CF78LD3XCG
Related reactions
1 records
Compound notes
Loading…