5-Hydroxy-1-benzofuran-3-carboxylic acid
Basic information
- CAS
29735-85-1- Standard SMILES
O=C(O)c1coc2ccc(O)cc12- InChIKey
GWWDURABERRAPL-UHFFFAOYSA-N- Molecular formula
- C9H6O4
- Average molar mass
- 178.14 g/mol
- Monoisotopic mass
- 178.02660867
Names & identifiers
- Preferred name
- 5-Hydroxy-1-benzofuran-3-carboxylic acid
- IUPAC
- 5-hydroxy-1-benzofuran-3-carboxylic acid
- English name
- 5-hydroxybenzofuran-3-carboxylic acid
- Molecular formula
- C9H6O4
- Molecular weight
- 178.14
Names & synonyms
29735-85-15-hydroxy-1-benzofuran-3-carboxylic acidRefChem:536148821-695-45-hydroxybenzofuran-3-carboxylic acid3-Benzofurancarboxylic acid, 5-hydroxy-MFCD151442293-carboxy-5-hydroxybenzofuranSCHEMBL3377499SCHEMBL29630236GWWDURABERRAPL-UHFFFAOYSA-NEBA73585
Show more names
5-hydroxy-3-Benzofurancarboxylic acidAKOS0229102935-hydroxy-1-benzofuran-3-carboxylicacidDB-427945EN300-749485F73602F864108Z1255392768
Database identifiers
- CAS
29735-85-1- PubChem CID
- 68619366
- EC Number
- 821-695-4
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Boiling point
- 410 · 410.0±25.0 °C(Predicted)
- Density
- 1.518 · 1.518±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 3.28 · 3.28±0.30(Predicted)
- Appearance
- Gray to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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Compound notes
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