2-Benzofurancarboxaldehyde, 6-methoxy-

HCID 40908

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Basic information

CAS: 53860-74-5
Standard SMILES: COc1ccc2cc(C=O)oc2c1
InChIKey: GOFAYQFZGHXFTL-UHFFFAOYSA-N
Molecular formula: C10H8O3
Average molar mass: 176.17 g/mol
Monoisotopic mass: 176.04734412

Names & identifiers

Preferred name: 2-Benzofurancarboxaldehyde, 6-methoxy-
IUPAC: 6-methoxy-1-benzofuran-2-carbaldehyde
English name: 6-Methoxy-2-benzofurancarbaldehyde
Molecular formula: C10H8O3
Molecular weight: 176.17

Names & synonyms

53860-74-52-BENZOFURANCARBOXALDEHYDE, 6-METHOXY-6-Methoxy-2-benzofurancarboxaldehydeBRN 4401858DTXSID40202122RefChem:256323DTXCID401246136-METHOXYBENZOFURAN-2-CARBALDEHYDE6-methoxy-1-benzofuran-2-carbaldehyde6-Methoxy-2-benzofurancarbaldehydeMFCD01659783SCHEMBL566297

Show more names

6-methoxybenzofuran-2-methylaldehyde

GOFAYQFZGHXFTL-UHFFFAOYSA-NDCA86074AKOS022639303AS-36158SY242294DB-296584CS-0172650EN300-2039066

Database identifiers

CAS: 53860-74-5
PubChem CID: 40908
DTXSID: DTXSID40202122
Nikkaji: J76.269E

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 39.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 193

Physicochemical properties

Melting point: 78 · 78-80 °C
Boiling point: 296 · 296.0±20.0 °C(Predicted)
Density: 1.24 · 1.240±0.06 g/cm3(Predicted)
storage temp.: -20 °C, · -20°C, sealed storage, away from moisture
form: solid
Appearance: Light yellow to yellow Solid
InChI: 1S/C10H8O3/c1-12-8-3-2-7-4-9(6-11)13-10(7)5-8/h2-6H,1H3
InChIKey: GOFAYQFZGHXFTL-UHFFFAOYSA-N
SMILES: O=C([H])C1=CC(C=C2)=C(C=C2OC)O1
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
WGK Germany: 3 · WGK 3
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 Oral · Acute Tox. 3 Oral

Safety & regulation

Safety data

wgk: WGK 3
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H302-H312-H332
Hazard Classifications: Acute Tox. 3 Oral
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501