2-(4-Bromophenyl)-1-methylpyrrolidine

HCID 284897

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 164737-33-1
Standard SMILES: CN1CCCC1c1ccc(Br)cc1
InChIKey: RIEICTJOEICJJT-UHFFFAOYSA-N
Molecular formula: C11H14BrN
Average molar mass: 240.14 g/mol

Names & identifiers

Preferred name: 2-(4-Bromophenyl)-1-methylpyrrolidine
IUPAC: 2-(4-bromophenyl)-1-methylpyrrolidine
English name: 2-(4-bromophenyl)-1-methylPyrrolidine
Molecular formula: C11H14BrN
Molecular weight: 240.14

Names & synonyms

2-(4-bromophenyl)-1-methylpyrrolidine164737-33-1RefChem:457056839-954-5MFCD21879343NSC141214CHEMBL177579SCHEMBL1117990RIEICTJOEICJJT-UHFFFAOYSA-NPGA73733EBC-06378AKOS022534395

Show more names

Pyrrolidine, 2-(4-bromophenyl)-1-methyl-

NSC-1412142-(4-bromophenyl)-1-methyl-pyrrolidineAS-43043DA-282902-(4-Bromo-phenyl)-1-methyl-pyrrolidineEN300-7434344F472873Z646267806

Database identifiers

CAS: 164737-33-1
PubChem CID: 284897
ChEMBL: CHEMBL177579
EC Number: 839-954-5

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 163

Physicochemical properties

Boiling point: 274.1 · 274.1±33.0 °C(Predicted)
Density: 1.333 · 1.333±0.06 g/cm3(Predicted)
pka: 9.58 · 9.58±0.40(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.