Basic information
- CAS
82039-84-7- Standard SMILES
Cc1oc2ccc(O)cc2c1C(=O)O- InChIKey
PMQFCQKIRJLFAS-UHFFFAOYSA-N- Molecular formula
- C10H8O4
- Average molar mass
- 192.17 g/mol
- Monoisotopic mass
- 192.04225873
Names & identifiers
- Preferred name
- 5-Hydroxy-2-methyl-1-benzofuran-3-carboxylic acid
- IUPAC
- 5-hydroxy-2-methyl-1-benzofuran-3-carboxylic acid
- English name
- 5-Hydroxy-2-methyl-benzofuran-3-carboxylic acid
- Molecular formula
- C10H8O4
- Molecular weight
- 192.17
Names & synonyms
82039-84-75-hydroxy-2-methyl-1-benzofuran-3-carboxylic acidRefChem:536185973-586-75-Hydroxy-2-methyl-benzofuran-3-carboxylic acid5-Hydroxy-2-methylbenzofuran-3-carboxylic acid5-hydroxy-2-methylbenzo[b]furan-3-carboxylic acidMFCD00040261ChemDiv3_001788Oprea1_684004SCHEMBL24470616SCHEMBL29630216
Show more names
3-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-
HMS1478B06HDA03984SBB079042STK523123AKOS000164194CCG-108351IDI1_020754ST001691
Database identifiers
- CAS
82039-84-7- PubChem CID
- 668281
- EC Number
- 973-586-7
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Boiling point
- 413 · 413.0±40.0 °C(Predicted)
- Density
- 1.438 · 1.438±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- solubility
- DMSO (Slightly)
- form
- Solid
- pka
- 3.32 · 3.32±0.30(Predicted)
- color
- Pale Orange to Pale Red
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Applications
Uses5-Hydroxy-2-methyl-benzofuran-3-carboxylic acid is a useful intermediate in the preparation of selected methyl 5-methoxy-2-methyl-1-benzofuran-3-carboxylate derivatives with potential antimicrobial activity.
Upstream & downstream products
Upstream raw materials
Suppliers13 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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