2-Pyrrolidinone, 3-phenyl-

HCID 201789

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 6836-97-1
Standard SMILES: O=C1NCCC1c1ccccc1
InChIKey: BNWOFLCLCRHUTF-UHFFFAOYSA-N
Molecular formula: C10H11NO
Average molar mass: 161.2 g/mol
Monoisotopic mass: 161.08406397

Names & identifiers

Preferred name: 2-Pyrrolidinone, 3-phenyl-
IUPAC: 3-phenylpyrrolidin-2-one
English name: 3-Phenyl-2-pyrollidinone
Molecular formula: C10H11NO
Molecular weight: 161.2

Names & synonyms

3-phenylpyrrolidin-2-one2-Pyrrolidinone, 3-phenyl-3-Phenyl-2-pyrrolidinoneBRN 1527321Lactam of alpha-phenyl-gamma-aminobutyric acidRefChem:483498831-779-26836-97-1MFCD01687225rac-3-Phenyl-pyrrolidin-2-oneSCHEMBL3730431(r,s)-3-phenyl-pyrrolidin-2-one

Show more names

3-Phenyl-2-pyrollidinonerac-3-Phenyl-pyrrolidin-2-one, 98%3-phenylpyrrolidin-2-one - [P87241]

4-Phenyl-3,4-dihydro-2H-pyrrol-5-olP198993-phenyl-2-oxopyrrolidine3-Phenyl-pyrrolidin-2-onerac-3-phenylpyrrolidin-2-oneSCHEMBL1829741(3S)-3-phenylpyrrolidin-2-oneDTXSID40987907

Database identifiers

CAS: 6836-97-1
PubChem CID: 201789
EC Number: 831-779-2
Nikkaji: J973.989K

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 173

Physicochemical properties

storage temp.: 2 · 2-8°C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H302-H315
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H319-H302-H315
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362