Basic information
- CAS
5346-01-0- Standard SMILES
CC(=O)Oc1ccc2ccc3ccc(C(C)=O)cc3c2c1- InChIKey
XKSUOAMGEJABCF-UHFFFAOYSA-N- Molecular formula
- C18H14O3
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.0942943
Names & identifiers
- Preferred name
- 6-Acetylphenanthren-3-yl acetate
- IUPAC
- (6-acetylphenanthren-3-yl) acetate
- English name
- 6-Acetyl-3-phenanthryl acetate
- Molecular formula
- C18H14O3
- Molecular weight
- 278.3
Names & synonyms
5346-01-0MLS0026375936-acetylphenanthren-3-yl acetate6-acetyl-3-phenanthryl acetateNSC1779HMS3091A21CHEMBL1874708DTXSID50277346NSC-1779AKOS024333560SMR0007397286-HYDROXY-3-PHENANTHRYL METHYL KETONE, ACETATE
Show more names
3-ACETOXY-6-ACETYLPHENANTHRENEEthanone, 1-[6-(acetyloxy)-3-phenanthrenyl]-
Database identifiers
- CAS
5346-01-0- PubChem CID
- 219944
- DTXSID
DTXSID50277346- ChEMBL
CHEMBL1874708- EC Number
- 688-720-7
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 417
Physicochemical properties
- Melting point
- 152 · 152-155 °C
- Boiling point
- 472.6 · 472.6±18.0 °C(Predicted)
- Density
- 1.226 · 1.226±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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