5-Methoxybenzofuran

HCID 25943

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Basic information

CAS: 13391-28-1
Standard SMILES: COc1ccc2occc2c1
InChIKey: JJXPTUWJVQUHKN-UHFFFAOYSA-N
Molecular formula: C9H8O2
Average molar mass: 148.16 g/mol
Monoisotopic mass: 148.0524295

Names & identifiers

Preferred name: 5-Methoxybenzofuran
IUPAC: 5-methoxy-1-benzofuran
English name: 5-Methoxybenzofuran
Molecular formula: C9H8O2
Molecular weight: 148.16

Names & synonyms

5-Methoxybenzofuran13391-28-15-methoxy-1-benzofuranBENZOFURAN, 5-METHOXY-VSU72383LPNSC 149953BRN 0116721NSC-149953DTXSID401584185-17-04-00203 (Beilstein Handbook Reference)RefChem:103054DTXCID0080909

Show more names

5-methoxy-benzofura5-methoxy-1-benzofuran - [M82380]

JJXPTUWJVQUHKN-UHFFFAOYSA-N5-methoxy-benzofuranMFCD00079770R 7236UNII-VSU72383LPSCHEMBL8266245-Methoxybenzo[b]furanSCHEMBL533282

Database identifiers

CAS: 13391-28-1
PubChem CID: 25943
DTXSID: DTXSID40158418
UNII: VSU72383LP
EC Number: 674-152-7
Nikkaji: J76.297K

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 22.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 136

Physicochemical properties

Melting point: 31 °C · 31 °C
Boiling point: 123 °C · 123 °C
Density: 1.136 · 1.136±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Appearance: Off-white to light yellow Solid
InChI: InChI=1S/C9H8O2/c1-10-8-2-3-9-7(6-8)4-5-11-9/h2-6H,1H3
InChIKey: JJXPTUWJVQUHKN-UHFFFAOYSA-N
SMILES: O1C2=CC=C(OC)C=C2C=C1
CAS DataBase Reference: 13391 · 13391-28-1(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 72383 LP · VSU72383LP
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HazardClass: IRRITANT
HS Code: 2932990090 · 2932990090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.