Basic information
- CAS
302953-50-0- Standard SMILES
CC(=O)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1- InChIKey
KEMLYJWTBFYUFP-UHFFFAOYSA-N- Molecular formula
- C16H10N2O5
- Average molar mass
- 310.26 g/mol
- Monoisotopic mass
- 310.05897142
Names & identifiers
- Preferred name
- 2-(3-acetylphenyl)-4-nitro-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-(3-acetylphenyl)-4-nitroisoindole-1,3-dione
- English name
- 2-(3-acetylphenyl)-4-nitroisoindoline-1,3-dione
- Molecular formula
- C16H10N2O5
- Molecular weight
- 310.26
Names & synonyms
302953-50-02-(3-acetylphenyl)-4-nitro-1H-isoindole-1,3(2H)-dioneF0827-02172-(3-acetylphenyl)-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione2-(3-acetylphenyl)-4-nitroisoindole-1,3-dione2-(3-acetylphenyl)-4-nitroisoindoline-1,3-dioneSMSSF-0061325STK391663AKOS000734383ST502178942-(m-acetylphenyl)-4-nitro-1,3-isoindolinedioneSR-01000315533
Show more names
1H-Isoindole-1,3(2H)-dione, 2-(3-acetylphenyl)-4-nitro-
SR-01000315533-1Z569265861-acetyl-3-(4-nitro-1,3-dioxobenzo[c]azolin-2-yl)benzene
Database identifiers
- CAS
302953-50-0- PubChem CID
- 830807
- EC Number
- 120-320-5
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 555
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, 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 CategoriesAquatic Acute 1 (100%)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
IFLAB-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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