2-(4-Methylphenyl)-1H-indene-1,3(2H)-dione
Basic information
- CAS
7561-48-0- Standard SMILES
Cc1ccc(C2C(=O)c3ccccc3C2=O)cc1- InChIKey
UZRVEOMTWFQDCD-UHFFFAOYSA-N- Molecular formula
- C16H12O2
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.08372962
Names & identifiers
- Preferred name
- 2-(4-Methylphenyl)-1H-indene-1,3(2H)-dione
- IUPAC
- 2-(4-methylphenyl)indene-1,3-dione
- English name
- 2-(4-Methylphenyl)-1H-indene-1,3(2H)-dione
- Molecular formula
- C16H12O2
- Molecular weight
- 236.27
Names & synonyms
2-(4-METHYLPHENYL)-1H-INDENE-1,3(2H)-DIONERefChem:458110688-690-57561-48-02-(p-Tolyl)-1H-indene-1,3(2H)-dione1,3-Indandione, 2-(4-methylphenyl)-2-(4-methylphenyl)indene-1,3-dioneMFCD001761952-p-Tolyl-indan-1,3-dione2-(4-methylphenyl)-2,3-dihydro-1H-indene-1,3-dione2-(4-Methylphenyl)-1,3-indandioneBRN 2106995
Show more names
2-(4-methylphenyl)-1H-indene-1,3(2H)-dione(SALTDATA: FREE)
1H-Indene-1,3(2H)-dione, 2-(4-methylphenyl)-Maybridge3_005874Cambridge id 5103385Oprea1_4397824-07-00-02581 (Beilstein Handbook Reference)MLS001182223CHEMBL422512-(p-tolyl)indane-1,3-dione
Database identifiers
- CAS
7561-48-0- PubChem CID
- 202148
- DTXSID
DTXSID30226519- ChEMBL
CHEMBL42251- EC Number
- 688-690-5
- Nikkaji
- J631.200D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 328
Experimental & physicochemical properties
LogP3.46
Physicochemical properties
- Melting point
- 143.5 °C · 143.5 °C(Solv: methanol (67-56-1); ethanol (64-17-5))
- Boiling point
- 423.2 · 423.2±45.0 °C(Predicted)
- Density
- 1.23 · 1.230±0.06 g/cm3(Predicted)
- pka
- 8.07 · 8.07±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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