CAS 7661-32-7 1-(4-Bromophenyl)pyrrolidin-2-one (HCID 736110)

Substructure search Find similar structures

Basic information

CAS: 7661-32-7
Standard SMILES: O=C1CCCN1c1ccc(Br)cc1
InChIKey: YINFEFUSAQRZGG-UHFFFAOYSA-N
Molecular formula: C10H10BrNO
Average molar mass: 240.1 g/mol
Monoisotopic mass: 238.99457604

Names & identifiers

Preferred name: 1-(4-Bromophenyl)pyrrolidin-2-one
IUPAC: 1-(4-bromophenyl)pyrrolidin-2-one
English name: 1-(4-Bromophenyl)-2-pyrrolidinone
Molecular formula: C10H10BrNO
Molecular weight: 240.1

Names & synonyms

1-(4-bromophenyl)pyrrolidin-2-one7661-32-7DTXSID30997939RefChem:425084DTXCID601424936819-132-21-(4-bromophenyl)-2-pyrrolidinoneMFCD001385022-Pyrrolidinone, 1-(4-bromophenyl)-p-bromo-phenylpyrrolidoneMLS000539454SCHEMBL1171241

Show more names

3-(4-bromophenyl)pyrrolidin-2-oneBUTTPARK 32\07-611-(4-BROMOPHENYL)-2-PYRROLIDONE1-(4-Bromophenyl)-2-oxopyrrolidine1-(4-Bromophenyl)-2-pyrrolidinone, 99+%1-(4-Bromophenyl)pyrrolidin-2-one - [B93260]

SCHEMBL1226664CHEMBL1307259SCHEMBL18048566YINFEFUSAQRZGG-UHFFFAOYSA-NHMS2177C19ALBB-013519N-(4-bromophenyl)-2-pyrrolidinoneSBB099209

Database identifiers

CAS: 7661-32-7
PubChem CID: 736110
DTXSID: DTXSID30997939
ChEMBL: CHEMBL1307259
EC Number: 819-132-2
Nikkaji: J2.021.413I

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 199

Physicochemical properties

Melting point: 98 · 98-101 °C
Boiling point: 98 · 98-101°C
Density: 1.4808 · 1.4808 (rough estimate)
refractive index: 1.612 · 1.6120 (estimate)
Flash point: 98 · 98-101°C
storage temp.: 2 · Sealed in dry,2-8°C
pka: -0.32 · -0.32±0.20(Predicted)
form: Crystalline Powder
color: Beige or faintly pink
CAS DataBase Reference: 7661 · 7661-32-7(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.