Indan-1,2,3-trione
Basic information
- CAS
938-24-9- Standard SMILES
O=c1c(=O)c2ccccc2c1=O- InChIKey
WVZWEMOFSIEEMU-UHFFFAOYSA-N- Molecular formula
- C9H4O3
- Average molar mass
- 160.13 g/mol
- Monoisotopic mass
- 160.01604399
Names & identifiers
- Preferred name
- Indan-1,2,3-trione
- IUPAC
- indene-1,2,3-trione
- English name
- indan-1,2,3-trione
- Molecular formula
- C9H4O3
- Molecular weight
- 160.13
Names & synonyms
1H-Indene-1,2,3-trioneIndan-1,2,3-trioneIndantrione1,2,3-IndantrioneNSC 8970EINECS 213-340-11,2,3-TriketohydrindeneAI3-52687DTXSID40239655RefChem:148095DTXCID90162146213-340-1
Show more names
WVZWEMOFSIEEMU-UHFFFAOYSA-N938-24-9indene-1,2,3-trioneindane-1,2,3-trione1,2,3-indanetrione2,3-dihydro-1H-indene-1,2,3-trioneTriketoindanC9H4O3
Database identifiers
- CAS
938-24-9- PubChem CID
- 70309
- DTXSID
DTXSID40239655- EC Number
- 213-340-1
- Nikkaji
- J112.994E
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 255 °C · 255 °C
- Boiling point
- 338.4 · 338.4±25.0 °C(Predicted)
- Density
- 1.482 · 1.482±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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)
Aggregated GHS information provided per 29 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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