Basic information
- CAS
41498-43-5- Standard SMILES
O=Cc1cccc2ccc3ccccc3c12- InChIKey
ZCPCNJUBMFWRRB-UHFFFAOYSA-N- Molecular formula
- C15H10O
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.07316494
Names & identifiers
- Preferred name
- Phenanthrene-4-carbaldehyde
- IUPAC
- phenanthrene-4-carbaldehyde
- English name
- phenanthrene-4-carbaldehyde
- Molecular formula
- C15H10O
- Molecular weight
- 206.24
Names & synonyms
phenanthrene-4-carbaldehyde41498-43-54-PhenanthrenecarboxaldehydeNSC172517SCHEMBL1920365CHEMBL1978878SCHEMBL10549144DTXSID00305885ZCPCNJUBMFWRRB-UHFFFAOYSA-NSBB050288AKOS005172409NSC-172517
Show more names
NCI60_001393DB-412917CS-0376670ST45028797
Database identifiers
- CAS
41498-43-5- PubChem CID
- 299447
- DTXSID
DTXSID00305885- ChEMBL
CHEMBL1978878- Nikkaji
- J2.579.599G
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Melting point
- 88 · 88-91 °C(Solv: ethyl ether (60-29-7))
- Boiling point
- 405.7 · 405.7±14.0 °C(Predicted)
- Density
- 1.217 · 1.217±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
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_class
- IRRITANT
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers7 total
杭州奥得科技有限公司0571-88772972-0 15057128248 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
2 records
Compound notes
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