5-Hydroxy-2,3-dihydronaphthalene-1,4-dione
Basic information
- CAS
6312-53-4- Standard SMILES
O=C1CCC(=O)c2c(O)cccc21- InChIKey
VYTBDSUNRJYVHL-UHFFFAOYSA-N- Molecular formula
- C10H8O3
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.04734411
Overview
5-Hydroxy-2,3-dihydronaphthalene-1,4-dione has been reported in Lomatia tinctoria, Juglans regia, and Juglans nigra with data available.
Names & identifiers
- Preferred name
- 5-Hydroxy-2,3-dihydronaphthalene-1,4-dione
- IUPAC
- 5-hydroxy-2,3-dihydronaphthalene-1,4-dione
- English name
- 2,3-Dihydro-5-hydroxy-1,4-naphthoquinone
- Molecular formula
- C10H8O3
- Molecular weight
- 176.17
Names & synonyms
5-hydroxy-2,3-dihydronaphthalene-1,4-dione6312-53-4DTXSID20979087RefChem:1072969DTXCID901406391NSC403512,3-Dihydro-5-hydroxy-1,4-naphthoquinone1,4-Naphthalenedione, 2,3-dihydro-5-hydroxy-5-hydroxy-1,4-napthalenedioneSCHEMBL5793477NSC-40351β-Hydrojuglone
Show more names
2,3-Dihydro-5-hydroxy-1,4-naphthalenedione
Database identifiers
- CAS
6312-53-4- PubChem CID
- 237108
- DTXSID
DTXSID20979087- EC Number
- 683-123-8
- Nikkaji
- J142.191C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Melting point
- 96 · 96-97 °C(Solv: hexane (110-54-3))
- Boiling point
- 406.8 · 406.8±45.0 °C(Predicted)
- Density
- 1.379 · 1.379±0.06 g/cm3(Predicted)
- pka
- 7.03 · 7.03±0.20(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
- HS Code
- 2914690090 · 2914690090
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
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, 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. 2 (100%)
Safety data
- hs_code
- 2914690090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H300
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…