Methyl 6-hydroxy-1-benzofuran-2-carboxylate

HCID 12082972CAS 182747-75-7

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)c1cc2ccc(O)cc2o1
InChIKey: QWFLVOPCTQNVAN-UHFFFAOYSA-N
Molecular formula: C10H8O4
Average molar mass: 192.17 g/mol

Names & identifiers

Preferred name: Methyl 6-hydroxy-1-benzofuran-2-carboxylate
IUPAC: methyl 6-hydroxy-1-benzofuran-2-carboxylate
English name: Methyl 6-hydroxybenzofuran-2-carboxylate
Molecular formula: C10H8O4
Molecular weight: 192.17

Names & synonyms

182747-75-7methyl 6-hydroxy-1-benzofuran-2-carboxylateRefChem:817409841-391-5Methyl 6-hydroxybenzofuran-2-carboxylate2-Benzofurancarboxylic acid, 6-hydroxy-, methyl esterSCHEMBL1068608QWFLVOPCTQNVAN-UHFFFAOYSA-NHHA74775AKOS022183727Methyl6-hydroxybenzofuran-2-carboxylateDB-188144

Show more names

Methyl 6-hydroxy-2-benzofurancarboxylate6-hydroxy-benzofuran-2-carboxylic acid methyl ester

EN300-140819Z1486032292

Database identifiers

CAS: 182747-75-7
PubChem CID: 12082972
EC Number: 841-391-5

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 59.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 228

Physicochemical properties

Melting point: 174 °C · 174 °C
Boiling point: 217.5 · 217.5±10.0 °C(Predicted)
Density: 1.346 · 1.346±0.06 g/cm3(Predicted)
pka: 8.47 · 8.47±0.40(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H302-H319
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

GHS classification

GHS Classification · 4 items

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 statements: H315-H335-H302-H319
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P