Basic information
- CAS
3260-49-9- Standard SMILES
O=C1COc2cc(O)cc(O)c21- InChIKey
OPSLRXQDYBYKHC-UHFFFAOYSA-N- Molecular formula
- C8H6O4
- Average molar mass
- 166.13 g/mol
- Monoisotopic mass
- 166.02660867
Names & identifiers
- Preferred name
- 4,6-dihydroxybenzofuran-3(2H)-one
- IUPAC
- 4,6-dihydroxy-1-benzofuran-3-one
- English name
- 4,6-dihydroxybenzofuran-3-one
- Molecular formula
- C8H6O4
- Molecular weight
- 166.13
Names & synonyms
4,6-dihydroxybenzofuran-3(2H)-one3260-49-94,6-dihydroxy-1-benzofuran-3-one4,6-dihydroxybenzofuran-3-one4,6-Dihydroxy-3(2H)-benzofuranoneMFCD005978444,6-dihydroxy-1-benzofuran-3(2H)-one4,6-dihydroxy-2-hydrobenzo[b]furan-3-one4,6-dihydroxy-3-benzofuranone3(2h)-benzofuranone, 4,6-dihydroxy-4,6-Dihydroxy-3-benzofuranone; 4,6-Dihydroxy-3-coumaranone; 4,6-Dihydroxybenzofuran-3(2H)-one; 4,6-Dihydroxycoumaranone; NSC 19025NSC19025
Show more names
NSC 190254,6-Dihydroxy-3-coumaranone
4,6-dihydroxy-coumaran-3-oneSCHEMBL14282884,6-dihydroxy-benzofuran-3-oneDTXSID00280906OPSLRXQDYBYKHC-UHFFFAOYSA-N46-Dihydroxybenzofuran-3(2H)-oneNSC-19025SBB038970
Database identifiers
- CAS
3260-49-9- PubChem CID
- 227444
- DTXSID
DTXSID00280906- Nikkaji
- J1.540.760C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Melting point
- 260 ℃ · 260℃
- Boiling point
- 429.4 · 429.4±40.0 °C(Predicted)
- Density
- 1.614 · 1.614±0.06 g/cm3 (20 ºC 760 Torr)
- solubility
- soluble in Chloroform
- form
- Solid
- pka
- 7.43 · 7.43±0.20(Predicted)
- color
- Orange
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses4,6-Dihydroxy-3(2H)-benzofuranone is an intermediate in synthesizing Diosmetin 3’,7-Diglucuronide-d3 (D485042), a labelled Diosmetin 3’,7-Diglucuronide (D485040), which is a metabolite of Diosmetin (D485000) which is a flavonoid often administered in the treatment of chronic venous insufficiency, hemorrhoids, and related affections.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers13 total
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
常州宣叶科技有限公司15195022192 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
Related reactions
2 records
Compound notes
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