Basic information
- CAS
4923-55-1- Standard SMILES
O=C1C=C(O)c2c(O)cccc2C1=O- InChIKey
AQMHLTLDUPBBEF-UHFFFAOYSA-N- Molecular formula
- C10H6O4
- Average molar mass
- 190.15 g/mol
- Monoisotopic mass
- 190.02660867
Overview
4,5-Dihydroxynaphthalene-1,2-dione has been reported in Verticillium dahliae and Leptosphaeria maculans with data available.
Names & identifiers
- Preferred name
- 4,5-Dihydroxynaphthalene-1,2-dione
- IUPAC
- 4,5-dihydroxynaphthalene-1,2-dione
- English name
- 2-hydroxyjuglone
- Molecular formula
- C10H6O4
- Molecular weight
- 190.15
Names & synonyms
2,5-Dihydroxynaphthalene-1,4-dione4,5-dihydroxynaphthalene-1,2-dioneDTXSID20964190RefChem:285448DTXCID4013918964923-55-12-Hydroxyjuglone1,4-Naphthalenedione, 2,5-dihydroxy-2,5-Dihydroxynaphthoquinone2,5-Dihydroxy-1,4-naphthoquinone1,4-NAPHTHOQUINONE, 2,5-DIHYDROXY-MFCD01081395
Show more names
2-HJ
CHEMBL10894862,5-Dihydroxy-1,4-naphthalenedioneBRN 2049199141075-00-54-08-00-02949 (Beilstein Handbook Reference)SCHEMBL109904SCHEMBL8663341CHEMBL1576702
Database identifiers
- CAS
4923-55-1- PubChem CID
- 21035
- DTXSID
DTXSID20964190- ChEMBL
CHEMBL1089486、CHEMBL1576702- Nikkaji
- J13.304C
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Melting point
- 220 °C · 220 °C (decomp)(Solv: acetic acid (64-19-7))
- Boiling point
- 428.9 · 428.9±45.0 °C(Predicted)
- Density
- 1.639 · 1.639±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.5 · 4.50±1.00(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 261 · P261-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
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2,5-Dihydroxynaphthalene-1,4-dione is a useful reagent in the preparation of substituted 1,4-naphthoquinones, a potential anti-cancer agent.
Suppliers6 total
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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