2-Ethylbenzofuran
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Basic information
- CAS
3131-63-3- 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 propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 13.1 Ų
- 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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Upstream & downstream products
Downstream products
Related reactions
41 records
Compound notes
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