1,5-Diphenyl-3-(thiophen-2-yl)pentane-1,5-dione
Basic information
- CAS
76115-74-7- Standard SMILES
O=C(CC(CC(=O)c1ccccc1)c1cccs1)c1ccccc1- InChIKey
SUQWIRAGCUTYMZ-UHFFFAOYSA-N- Molecular formula
- C21H18O2S
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.10275099
Names & identifiers
- Preferred name
- 1,5-Diphenyl-3-(thiophen-2-yl)pentane-1,5-dione
- IUPAC
- 1,5-diphenyl-3-thiophen-2-ylpentane-1,5-dione
- English name
- 1,5-Diphenyl-3-(thiophen-2-yl)pentane-1,5-dione
- Molecular formula
- C21H18O2S
- Molecular weight
- 334.43
Names & synonyms
1,5-diphenyl-3-(thiophen-2-yl)pentane-1,5-dione76115-74-71,5-diphenyl-3-(2-thienyl)pentane-1,5-dione1,5-diphenyl-3-thiophen-2-ylpentane-1,5-dionestarbld0005320Oprea1_342334Oprea1_368758MFCD00569731STK032550AKOS000663024NCGC00339691-01ST50006609
Show more names
1,5-Pentanedione, 1,5-diphenyl-3-(2-thienyl)-
1,5-diphenyl-3-(2-thienyl)-1,5-pentanedioneAB01332039-02
Database identifiers
- CAS
76115-74-7- PubChem CID
- 780235
- EC Number
- 150-439-8
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Melting point
- 103 °C · 103 °C
- Boiling point
- 516.3 · 516.3±50.0 °C(Predicted)
- Density
- 1.19 · 1.190±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-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]
P264, P270, P273, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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