Basic information
- CAS
569-15-3- Standard SMILES
O=C1C=CC(=O)c2c1ccc1ccccc21- InChIKey
POZPGRADIOPGIR-UHFFFAOYSA-N- Molecular formula
- C14H8O2
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.05242949
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1,4-Phenanthrenequinone
- IUPAC
- phenanthrene-1,4-dione
- English name
- PHENANTHRENE-1,4-DIONE
- Molecular formula
- C14H8O2
- Molecular weight
- 208.21
Names & synonyms
1,4-Phenanthrenedione569-15-31,4-Phenanthrenequinone5,8-Phenanthraquinone1,4-Phenanthraquinone1,4-PhenanthroquinoneIU5XP36K84DTXSID40205431NSC-148970RefChem:73376DTXCID40127922phenanthrene-1,4-dione
Show more names
C14H8O2NSC 148970BRN 1871015NSC1489701,4-DIHYDROPHENANTHRENE-1,4-DIONEphenanthrene-1,4-quinoneUNII-IU5XP36K84SCHEMBL64776
Database identifiers
- CAS
569-15-3- PubChem CID
- 98574
- DTXSID
DTXSID40205431- UNII
- IU5XP36K84
- EC Number
- 106-160-9
- Nikkaji
- J79.657C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 356
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 XP36K84 · IU5XP36K84
- EPA Substance Registry System
- 1 · 1,4-Phenanthrenedione (569-15-3)
- HS Code
- 29142990 · 29142990
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, 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
- hs_code
- 29142990
Chemistry & industry
Suppliers4 total
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
BOC Sciences16314854226 · [email protected]
河南奥创化工有限公司+86-0371-63689365 +8618638391208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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