Basic information
- CAS
139484-40-5- Standard SMILES
O=Cc1ccc(OCC(=O)c2ccccc2)cc1- InChIKey
DUFOKNRIMNOESJ-UHFFFAOYSA-N- Molecular formula
- C15H12O3
- Average molar mass
- 240.25 g/mol
- Monoisotopic mass
- 240.07864424
Names & identifiers
- Preferred name
- 4-(2-Oxo-2-phenylethoxy)benzaldehyde
- IUPAC
- 4-phenacyloxybenzaldehyde
- English name
- 4-(2-Oxo-2-phenylethoxy)benzaldehyde
- Molecular formula
- C15H12O3
- Molecular weight
- 240.25
Names & synonyms
4-(2-oxo-2-phenylethoxy)benzaldehyde139484-40-5DTXSID30366161RefChem:287381DTXCID003172014-phenacyloxybenzaldehydeBenzaldehyde, 4-(2-oxo-2-phenylethoxy)-MFCD03361596Benzaldehyde,4-(2-oxo-2-phenylethoxy)-SCHEMBL15164606ALBB-034952PFA48440
Show more names
4-(2-oxo-2-phenylethoxy)benzaldehyde(SALTDATA: FREE)
AKOS0001185374-(2-oxo-2-phenylethoxy) benzaldehydeCS-0221042EN300-08214H48069Z19658591
Database identifiers
- CAS
139484-40-5- PubChem CID
- 2060331
- DTXSID
DTXSID30366161- Nikkaji
- J1.299.251C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Melting point
- 110 · 110-112 °C(Solv: ethanol (64-17-5))
- Boiling point
- 429 · 429.0±25.0 °C(Predicted)
- Density
- 1.195 · 1.195±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
赛纳斯特化学（欢迎点击联系）021-60343070
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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