Nifurmerone
Basic information
- CAS
5579-95-3- Standard SMILES
O=C(CCl)c1ccc([N+](=O)[O-])o1- InChIKey
DQJAAEADFORVGZ-UHFFFAOYSA-N- Molecular formula
- C6H4ClNO4
- Average molar mass
- 189.55 g/mol
- Monoisotopic mass
- 188.9828853
Overview
Nifurmerone is a small molecule drug. The usage of the INN stem 'nifur-' in the name indicates that Nifurmerone is a 5-nitrofuran derivative. Nifurmerone has a monoisotopic molecular weight of 188.98 Da.
Names & identifiers
- Preferred name
- Nifurmerone
- IUPAC
- 2-chloro-1-(5-nitrofuran-2-yl)ethanone
- English name
- Nifurmerone
- Molecular formula
- C6H4ClNO4
- Molecular weight
- 189.554
Names & synonyms
NIFURMERONE5579-95-3MetofuroneNifurmerona2-Chloro-1-(5-nitrofuran-2-yl)ethan-1-oneNifurmeronumNF-71Ethanone, 2-chloro-1-(5-nitro-2-furanyl)-2-chloro-1-(5-nitrofuran-2-yl)ethanoneNF 71Nifurmerone [USAN:INN]Chloromethyl 5-nitro-2-furyl ketone
Show more names
Chloromethyl(5-nitro-2-furyl) ketone
NSC-84429Ketone, chloromethyl 5-nitro-2-furylF57Y390K2NNIFURMERONE [INN](Chlormethyl)(5-nitro-2-furyl)ketonNIFURMERONE [USAN]2-Chloro-1-(5-nitro-2-furyl)ethanone5-NITRO-2-FURYL KETONE
Database identifiers
- CAS
5579-95-3- PubChem CID
- 21753
- DTXSID
DTXSID90204358- ChEMBL
CHEMBL2106787、CHEMBL449237- UNII
- F57Y390K2N
- EC Number
- 101-716-7
- Nikkaji
- J8.004G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Melting point
- 92.5 · 92.5-94 °C
- Boiling point
- 276.2 · 276.2±25.0 °C(Predicted)
- Density
- 1.492 · 1.492±0.06 g/cm3(Predicted)
- FDA UNII
- 57 Y390K2N · F57Y390K2N
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P333+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 CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Applications
UsesAntifungal.
Suppliers
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Related reactions
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Compound notes
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