2-Acetyl-3-hydroxybenzo(B)thiophene
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Basic information
- CAS
3260-92-2- Standard SMILES
CC(=O)c1sc2ccccc2c1O- InChIKey
XQNRBPYRMAXIOB-UHFFFAOYSA-N- Molecular formula
- C10H8O2S
- Average molar mass
- 192.24 g/mol
- Monoisotopic mass
- 192.02450067
Names & identifiers
- Preferred name
- 2-Acetyl-3-hydroxybenzo(B)thiophene
- IUPAC
- 1-(3-hydroxy-1-benzothiophen-2-yl)ethanone
- English name
- 1-(3-hydroxybenzo[b]thien-2-yl)-Ethanon
- Molecular formula
- C10H8O2S
- Molecular weight
- 192.23
Names & synonyms
3260-92-22-ACETYL-3-HYDROXYBENZO(B)THIOPHENE2-acetyl-3-hydroxybenzo[b]thiopheneRefChem:462825668-128-51-(3-hydroxy-1-benzothiophen-2-yl)ethan-1-one1-(3-hydroxy-1-benzothiophen-2-yl)ethanone1-(3-Hydroxybenzo[b]thiophen-2-yl)ethanoneTCMDC-1258291-(3-Hydroxybenzo[b]thiophen-2-yl)ethan-1-one1-(3-hydroxybenzo[b]thien-2-yl)-Ethanon1-(3-HYDROXY-1-BENZOTHIEN-2-YL)ETHANONE
Show more names
MFCD00090256Ethanone, 1-(3-hydroxybenzo[b]thien-2-yl)-CHEMBL529607SCHEMBL9601620XQNRBPYRMAXIOB-UHFFFAOYSA-NHMS1789O113-hydroxy-2-acetylbenzo[b]thiopheneSBB091440
Database identifiers
- CAS
3260-92-2- PubChem CID
- 3966848
- ChEMBL
CHEMBL529607- EC Number
- 668-128-5
- Nikkaji
- J1.290.152F
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Melting point
- 81 °C · 81 °C
- Boiling point
- 337.8 · 337.8±22.0 °C(Predicted)
- Density
- 1.344 · 1.344±0.06 g/cm3(Predicted)
- pka
- 7.47 · 7.47±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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