Basic information
- CAS
40020-87-9- Standard SMILES
CC(=O)c1cc2cccc(O)c2o1- InChIKey
HRIVIHCUSKDPNK-UHFFFAOYSA-N- Molecular formula
- C10H8O3
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.04734412
Names & identifiers
- Preferred name
- 2-Acetyl-7-hydroxybenzofuran
- IUPAC
- 1-(7-hydroxy-1-benzofuran-2-yl)ethanone
- English name
- 2-Acetyl-7-hydroxybenzofuran
- Molecular formula
- C10H8O3
- Molecular weight
- 176.17
Names & synonyms
2-Acetyl-7-hydroxybenzofuran40020-87-9DTXSID30344242RefChem:255091DTXCID40295317HRIVIHCUSKDPNK-UHFFFAOYSA-N1-(7-hydroxybenzofuran-2-yl)ethanone1-(7-Hydroxy-1-benzofuran-2-yl)ethanone1-(7-Hydroxybenzofuran-2-yl)ethan-1-oneMFCD001913732-Acetyl-7-hydroxycoumaroneEthanone, 1-(7-hydroxy-2-benzofuranyl)-
Show more names
2-Acetylbenzofuran-7-ol2-Acetyl-7-hydroxybenzofurane2-Acetyl-7-hydroxybenzofuran >2-ACETYL-7-HYDROXYBENZOFURAN 97+%1-(7-hydroxy-2-benzofuranyl)ethanone
1-(7-hydroxy-1-benzofuran-2-yl)ethan-1-oneSCHEMBL1896215AKOS0062299981-(7-hydroxy-benzofuran-2-yl)-ethanoneAC-27841SY052643DB-020338A1316
Database identifiers
- CAS
40020-87-9- PubChem CID
- 595329
- DTXSID
DTXSID30344242- Nikkaji
- J24.257H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 166 °C · 166°C
- Boiling point
- 327.8 · 327.8±22.0 °C(Predicted)
- Density
- 1.292 · 1.292±0.06 g/cm3(Predicted)
- pka
- 8.43 · 8.43±0.40(Predicted)
- form
- powder to crystal
- color
- Light yellow to Yellow to Orange
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-36-22
- Safety Statements
- 26 · 26-36/37/39
- HS Code
- 2932990090 · 2932990090
Safety & regulation
Safety data
- hs_code
- 2932990090
- risk_code
- 36/37/38-36-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses2-Acetyl-7-hydroxybenzofuran is a reagent used to synthesize Befunolol (B131100).
Upstream & downstream products
Upstream raw materials
Suppliers38 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
7 records
Compound notes
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