2-Ethylbenzofuran

HCID 76582CAS 3131-63-3

Substructure search Find similar structures

Basic information

Standard SMILES: CCc1cc2ccccc2o1
InChIKey: KJHYAEZMOHLVCH-UHFFFAOYSA-N
Molecular formula: C10H10O
Average molar mass: 146.19 g/mol
Monoisotopic mass: 146.07316494

Names & identifiers

Preferred name: 2-Ethylbenzofuran
IUPAC: 2-ethyl-1-benzofuran
English name: 2-Ethylbenzofuran
Molecular formula: C10H10O
Molecular weight: 146.19

Names & synonyms

2-EthylbenzofuranBenzofuran, 2-ethyl-Ethyl-2-benzofuranEINECS 221-524-8DTXSID9062857RefChem:86946DTXCID5038335221-524-8KJHYAEZMOHLVCH-UHFFFAOYSA-N3131-63-32-Ethyl-1-benzofuran2-ethylbenzo[b]furan

Show more names

ETHYLBENZOFURAN2-Ethylcoumarone2-Etyl Benzofuran2-Ethylbenzofurane2-Ethylbenzofuran,98%2-ETHYLBENZOFURAN 98%Benzbromarone Impurity 4

Benzbromarone Impurity 6Benzbromarone Impurity 92-ethyl benzofuranMFCD000472872-ethylbenzo[b]-furanSCHEMBL515109AKOS000120525AS-17366

Database identifiers

CAS: 3131-63-3
PubChem CID: 76582
DTXSID: DTXSID9062857
EC Number: 221-524-8
Nikkaji: J217.287I

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 13.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 133

Physicochemical properties

Boiling point: 217 · 217-218 °C(Press: 742 Torr)
Density: 1.05 · 1.050±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: Chloroform (Sparingly), Ethyl Acetate (Sparingly)
form: Oil
color: Yellow
InChI: InChI=1S/C10H10O/c1-2-9-7-8-5-3-4-6-10(8)11-9/h3-7H,2H2,1H3
InChIKey: KJHYAEZMOHLVCH-UHFFFAOYSA-N
SMILES: O1C2=CC=CC=C2C=C1CC
LogP: 3.955 · 3.955 (est)
CAS DataBase Reference: 3131 · 3131-63-3(CAS DataBase Reference)
NIST Chemistry Reference: -2 · Ethyl-2-benzofuran(3131-63-3)
EPA Substance Registry System: 2 · Benzofuran, 2-ethyl- (3131-63-3)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
TSCA: TSCA listed
HS Code: 2932990090 · 2932990090
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 12-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33089

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

Safety data

tsca: TSCA listed
hs_code: 2932990090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
REACH Registrations: Active
Precautionary statements: P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzofuran, 2-ethyl-: ACTIVE

Applications

Uses2-Ethylbenzofuran is used in the synthesis of benzofurans as potential antianginal agents. They are also used in the preparation of 2-arylpyridines that are used in the synthesis of complexes with physical properties.