5-Methyl-1-benzofuran-2-carboxylic acid

HCID 932007CAS 10242-09-8

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Basic information

Standard SMILES: Cc1ccc2oc(C(=O)O)cc2c1
InChIKey: RNTYTQILDXWFLQ-UHFFFAOYSA-N
Molecular formula: C10H8O3
Average molar mass: 176.17 g/mol
Monoisotopic mass: 176.04734412

Names & identifiers

Preferred name: 5-Methyl-1-benzofuran-2-carboxylic acid
IUPAC: 5-methyl-1-benzofuran-2-carboxylic acid
English name: 5-Methyl-benzofuran-2-carboxylic acid
Molecular formula: C10H8O3
Molecular weight: 176.17

Names & synonyms

10242-09-85-methyl-1-benzofuran-2-carboxylic acidDTXSID60359021RefChem:303945DTXCID60310076854-695-85-Methylbenzofuran-2-carboxylic acid5-Methyl-benzofuran-2-carboxylic acidMFCD031679852-BENZOFURANCARBOXYLIC ACID, 5-METHYL-5-methylbenzo[b]furan-2-carboxylic acid5-METHYL-2-BENZOFURANCARBOXYLIC ACID

Show more names

5-methyl-1-benzofuran-2-carboxylic acid(SALTDATA: FREE)

AKOS BB6235-Methyl-2-carboxybenzofuranSCHEMBL702631TIMTEC-BB SBB010591RNTYTQILDXWFLQ-UHFFFAOYSA-N5-Methylbenzofuran-2-carboxylicacidKAA24209SBB010591

Database identifiers

CAS: 10242-09-8
PubChem CID: 932007
DTXSID: DTXSID60359021
EC Number: 854-695-8

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 50.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 214

Physicochemical properties

Melting point: 238 · 238-240℃
Boiling point: 332.1 · 332.1±22.0 °C(Predicted)
Density: 1.303 · 1.303
storage temp.: 2 · 2-8°C
pka: 3.16 · 3.16±0.30(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2932990090 · 2932990090

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.