2-(2-Furylmethyl)-4-nitro-1H-isoindole-1,3(2H)-dione
Basic information
- CAS
667446-41-5- Standard SMILES
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1ccco1- InChIKey
INAULTGLYURLBW-UHFFFAOYSA-N- Molecular formula
- C13H8N2O5
- Average molar mass
- 272.21 g/mol
- Monoisotopic mass
- 272.04332136
Names & identifiers
- Preferred name
- 2-(2-Furylmethyl)-4-nitro-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-(furan-2-ylmethyl)-4-nitroisoindole-1,3-dione
Names & synonyms
667446-41-52-(2-furylmethyl)-4-nitro-1H-isoindole-1,3(2H)-dioneRefChem:453923874-562-82-(Furan-2-ylmethyl)-4-nitroisoindoline-1,3-dione2-(furan-2-ylmethyl)-4-nitroisoindole-1,3-dioneMFCD013298732-[(furan-2-yl)methyl]-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione1H-isoindole-1,3(2H)-dione, 2-(2-furanylmethyl)-4-nitro-ALBB-024194STK252697AKOS003314182
Show more names
SB61088LS-07821CS-0322685ST45002461H344202-(2-furylmethyl)-4-nitro-isoindoline-1,3-dioneSR-01000255815SR-01000255815-1
Database identifiers
- CAS
667446-41-5- PubChem CID
- 897064
- EC Number
- 874-562-8
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 447
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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