Basic information
- CAS
121676-99-1- Standard SMILES
O=C1/C(=C\c2ccc(/C=C3\CCc4ccccc4C3=O)cc2)CCc2ccccc21- InChIKey
UEUYNBPEENYAII-QFFDILLMSA-N- Molecular formula
- C28H22O2
- Average molar mass
- 390.5 g/mol
- Monoisotopic mass
- 390.16197994
Names & identifiers
- Preferred name
- 2,2'-(1,4-Phenylenedimethylidyne)DI-1-tetralone
- IUPAC
- (2E)-2-[[4-[(Z)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]methylidene]-3,4-dihydronaphthalen-1-one
- English name
- (2Z)-2-[(4-{[(2Z)-1-oxo-1,2,3,4-tetrahydronaphthalen-2-ylidene]methyl}phenyl)methylidene]-1,2,3,4-tetrahydronaphthalen-1-one
- Molecular formula
- C28H22O2
- Molecular weight
- 390.47
Names & synonyms
121676-99-1RefChem:4401232,2'-(1,4-phenylenedimethylidyne)di-1-tetralone653-262-92,2'-(1,4-Phenylenebis(methanylylidene))bis(3,4-dihydronaphthalen-1(2H)-one)(2E)-2-[(4-{[(2E)-1-oxo-1,2,3,4-tetrahydronaphthalen-2-ylidene]methyl}phenyl)methylidene]-1,2,3,4-tetrahydronaphthalen-1-one(2Z)-2-[(4-{[(2Z)-1-oxo-1,2,3,4-tetrahydronaphthalen-2-ylidene]methyl}phenyl)methylidene]-1,2,3,4-tetrahydronaphthalen-1-one
Database identifiers
- CAS
121676-99-1- PubChem CID
- 6030331
- EC Number
- 653-262-9
- Nikkaji
- J2.890.239E
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 659
Physicochemical properties
- Melting point
- 282 °C · 282 °C(Solvent: Ethanol; Benzene)
- Boiling point
- 618.16 · 618.160±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.253 · 1.253±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · 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
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)
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 CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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