Basic information
- CAS
27533-97-7- Standard SMILES
CCOc1ccc(C2C(=O)c3ccccc3C2=O)cc1- InChIKey
OYBQKBPVEKHJTK-UHFFFAOYSA-N- Molecular formula
- C17H14O3
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.0942943
Names & identifiers
- Preferred name
- 2-(4-Ethoxy-phenyl)-indan-1,3-dione
- IUPAC
- 2-(4-ethoxyphenyl)indene-1,3-dione
- English name
- 2-(4-Ethoxy-phenyl)-indan-1,3-dione
- Molecular formula
- C17H14O3
- Molecular weight
- 266.29
Names & synonyms
27533-97-72-(4-Ethoxy-phenyl)-indan-1,3-dioneRefChem:457496635-189-42-(4-Ethoxyphenyl)-1H-indene-1,3(2H)-dioneChemDiv2_000231Cambridge id 5103404Oprea1_387626CHEMBL2903752-(4-ethoxyphenyl)-2,3-dihydro-1H-indene-1,3-dioneOYBQKBPVEKHJTK-UHFFFAOYSA-NHMS1369K11
Show more names
1H-Indene-1,3(2H)-dione, 2-(4-ethoxyphenyl)-
MFCD00183805AKOS001483288SY348858Indane-1,3-dione, 2-(4-ethoxyphenyl)-AB00073649-01SR-010003892812-(4-Ethoxyphenyl)-1H-indene-1,3(2H)-dione #SR-01000389281-1
Database identifiers
- CAS
27533-97-7- PubChem CID
- 622331
- ChEMBL
CHEMBL290375- EC Number
- 635-189-4
- Nikkaji
- J631.211J
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- Melting point
- 148 · 148-149 °C
- Boiling point
- 452.7 · 452.7±45.0 °C(Predicted)
- Density
- 1.231 · 1.231±0.06 g/cm3(Predicted)
- pka
- 8.07 · 8.07±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H400
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P273-P391-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, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 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,GHS09
- Hazard statements
- H302-H400
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P273-P391-P501
Chemistry & industry
Suppliers1 total
江西元兴生物医药科技有限公司13642377995 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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