1-(3-Hydroxyphenyl)pyrrolidin-2-one
Basic information
- CAS
58212-15-0- Standard SMILES
O=C1CCCN1c1cccc(O)c1- InChIKey
YZVOLCQVEKXPHT-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- 1-(3-Hydroxyphenyl)pyrrolidin-2-one
- IUPAC
- 1-(3-hydroxyphenyl)pyrrolidin-2-one
- English name
- 1-(3-Hydroxyphenyl)pyrrolidin-2-one
- Molecular formula
- C10H11NO2
- Molecular weight
- 177.2
Names & synonyms
1-(3-hydroxyphenyl)pyrrolidin-2-one58212-15-0DTXSID90353097RefChem:224431DTXCID90304160865-150-91-(3-hydroxy-phenyl)-pyrrolidin-2-one2-pyrrolidinone, 1-(3-hydroxyphenyl)-MFCD00219327Cambridge id 5137292SCHEMBL1543125YZVOLCQVEKXPHT-UHFFFAOYSA-N
Show more names
1-(3-hydroxyphenyl)-2-pyrrolidone1-(3-hydroxyphenyl)-2-pyrrolidinone
ALBB-012557SBB015089STK386227AKOS001139140BP-13167BS-13740DA-18125CS-0234677
Database identifiers
- CAS
58212-15-0- PubChem CID
- 736761
- DTXSID
DTXSID90353097- EC Number
- 865-150-9
- Nikkaji
- J2.305.043I
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 203 °C · 203 °C(Solv: ethanol (64-17-5))
- Boiling point
- 459.3 · 459.3±28.0 °C(Predicted)
- Density
- 1.275 · 1.275±0.06 g/cm3(Predicted)
- pka
- 9.58 · 9.58±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H302-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
- HazardClass
- IRRITANT
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H335-H302-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…