5-Hydroxy-1,3-dihydro-2-benzofuran-1,3-dione
Basic information
- CAS
27550-59-0- Standard SMILES
O=C1OC(=O)c2cc(O)ccc21- InChIKey
PXHIYFMTRHEUHZ-UHFFFAOYSA-N- Molecular formula
- C8H4O4
- Average molar mass
- 164.11 g/mol
- Monoisotopic mass
- 164.01095861
Names & identifiers
- Preferred name
- 5-Hydroxy-1,3-dihydro-2-benzofuran-1,3-dione
- IUPAC
- 5-hydroxy-2-benzofuran-1,3-dione
- English name
- 4-Hydroxyphthalic anhydride
- Molecular formula
- C8H4O4
- Molecular weight
- 164.12
Names & synonyms
5-hydroxy-1,3-dihydro-2-benzofuran-1,3-dioneRefChem:536141852-798-227550-59-05-Hydroxyisobenzofuran-1,3-dione4-Hydroxyphthalic anhydride5-hydroxy-2-benzofuran-1,3-dione1,3-isobenzofurandione, 5-hydroxy-5-HYDROXY-ISOBENZOFURAN-1,3-DIONEMFCD009972524-Hydroxy-phthalic anhydrideSCHEMBL787024
Show more names
4-Hydroxy-phthalicanhydridHydroxyisobenzofuran4-Hydroxyphthalic anhydride1,3-Isobenzofurandione,5-hydroxy-5-Hydroxy-1,3-isobenzofurandione, 98+%
SCHEMBL280077575-Hydroxyisobenzofuran-13-dioneDTXSID703486685-Hydroxy-1,3-isobenzofurandionePXHIYFMTRHEUHZ-UHFFFAOYSA-NAKOS002687653CS-W022391DS-7839
Database identifiers
- CAS
27550-59-0- PubChem CID
- 639747
- DTXSID
DTXSID70348668- EC Number
- 852-798-2
- Nikkaji
- J1.324.123F
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Melting point
- 171 · 171-173 °C(Solv: acetic acid (64-19-7))
- Boiling point
- 407.8 · 407.8±28.0 °C(Predicted)
- Density
- 1.624 · 1.624±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 6.52 · 6.52±0.20(Predicted)
- Appearance
- Off-white to light brown Solid
- InChI
- InChI=1S/C8H4O4/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3,9H
- InChIKey
- PXHIYFMTRHEUHZ-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C=C(O)C=C2)C(=O)O1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses4-Hydroxyphthalic anhydride is a derivative of 3-hydroxyphthalic anhydride and can be used to modify proteins for in vitro biologics studies.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
4 records
Compound notes
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