1,5-Bis(5-nitro-2-furanyl)-1,4-pentadien-3-one
Basic information
- CAS
2152-70-7- Standard SMILES
O=C(C=Cc1ccc([N+](=O)[O-])o1)C=Cc1ccc([N+](=O)[O-])o1- InChIKey
LUWVSMYASMXSJY-UHFFFAOYSA-N- Molecular formula
- C13H8N2O7
- Average molar mass
- 304.21 g/mol
- Monoisotopic mass
- 304.0331506
Names & identifiers
- Preferred name
- 1,5-Bis(5-nitro-2-furanyl)-1,4-pentadien-3-one
- IUPAC
- 1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-one
- English name
- 1,5-bis(5-nitro-2-furyl)penta-1,4-dien-3-one
- Molecular formula
- C13H8N2O7
- Molecular weight
- 304.21182
Names & synonyms
2152-70-71,5-Bis(5-nitro-2-furanyl)-1,4-pentadien-3-oneRefChem:2211991,5-Bis(5-nitro-2-furyl)penta-1,4-dien-3-one1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-oneNitrovin-ketoneNSC 21620LUWVSMYASMXSJY-UHFFFAOYSA-NDTXSID101248470AKOS024319229NS00049240ST50410099
Show more names
Nsc216201,4-Pentadien-3-one, 1,5-bis(5-nitro-2-furyl)-1,4-Pentadien-3-one, 1,5-bis(5-nitro-2-furanyl)-1,4-Pentadien-3-one, 1,5-bis(5-nitro-2-furanyl)- (9CI)
1,5-Bis(5-nitro-2-furyl)-1,4-pentadien-3-one1,5-bis-(5-nitro-2-furanyl)-1,4-pentadien-3-oneNitrovin desguanylhydrazine; Nitrovin ketone; 1,5-Bis-(5-nitro-2-furfuryl)-1,4-pentadien-3-one; Nitrovin-ketone
Database identifiers
- CAS
2152-70-7- PubChem CID
- 95565
- DTXSID
DTXSID101248470- EC Number
- 218-443-5
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 461
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesNSC 21620 is an intermediate in the synthesis of Nitrovin Hydrochloride (N494710), a veterinary anti-infective agent.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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