Basic information
- CAS
2152-70-7- Standard SMILES
O=C(/C=C\c1ccc([N+](=O)[O-])o1)/C=C/c1ccc([N+](=O)[O-])o1- InChIKey
LUWVSMYASMXSJY-HSFFGMMNSA-N- Molecular formula
- C13H8N2O7
- Average molar mass
- 304.21 g/mol
- Monoisotopic mass
- 304.0331506
Names & identifiers
- Preferred name
- 1,4-Pentadien-3-one, 1,5-bis(5-nitro-2-furyl)-
- IUPAC
- (1Z,4E)-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
NSC 21620SCHEMBL17988274NSC21620EINECS 218-443-5NSC-216201, 1,5-bis(5-nitro-2-furyl)-1, 1,5-bis(5-nitro-2-furanyl)-1,4-Pentadien-3-one, 1,5-bis(5-nitro-2-furanyl)-1,4-Pentadien-3-one, 1,5-bis(5-nitro-2-furyl)-Nitrovin-ketone1,5-Bis(5-nitro-2-furyl)-1,4-pentadien-3-one1,5-bis(5-nitro-2-furyl)penta-1,4-dien-3-one
Show more names
1,5-Bis(5-nitrofuran-2-yl)penta-1,4-dien-3-one1,4-Pentadien-3-one, 1,5-bis(5-nitro-2-furanyl)- (9CI)
Database identifiers
- CAS
2152-70-7- PubChem CID
- 6436751
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.
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.
Suppliers1 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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