CAS 3760-54-1 1-Pyrrolidinecarboxaldehyde (HCID 77372)

Overview

1-Pyrrolidinecarboxaldehyde is a member of pyrrolidines.

Names & identifiers

Preferred name: 1-Pyrrolidinecarboxaldehyde
IUPAC: pyrrolidine-1-carbaldehyde
English name: 1-FORMYLPYRROLIDINE
Molecular formula: C5H9NO
Molecular weight: 99.13

Names & synonyms

3760-54-1N-Formylpyrrolidine1-PyrrolidinecarboxaldehydeProlinalLO74GWE7WDNSC-42516DTXSID40191042proline aldehydeRefChem:176189DTXCID50113533223-175-71-Formylpyrrolidine

Show more names

1-formylpyrolidineTIMTEC-BB SBB0080201-ForMylpyrrolidine 97%N-formyl tetrahydropyrrole

Pyrrolidine-1-carbaldehydePyrrolidine-1-carboxaldehyde1-PyrrolidinecarbaldehydeUNII-LO74GWE7WDMFCD00003169EINECS 223-175-7NSC 42516CHEMBL4745604

Database identifiers

CAS: 3760-54-1
PubChem CID: 77372
DTXSID: DTXSID40191042
ChEMBL: CHEMBL4745604
ChEBI: CHEBI:178202
UNII: LO74GWE7WD
EC Number: 223-175-7
Nikkaji: J217.654H

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 66.5

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds

SpringerMaterials PropertiesSchoenflies notation

LogP · 2 items

-0.32

Vapor Pressure1.28 [mmHg]

Physical DescriptionClear light brown liquid; [Aldrich MSDS]

Physicochemical properties

Boiling point: 92 · 92-94 °C/15 mmHg (lit.)
Density: 1.04 g/mL · 1.04 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.479(lit.)
Flash point: 203 °F · 203 °F
storage temp.: Sealed in dry,Room Temperature
form: liquid
pka: -0.44 · -0.44±0.20(Predicted)
Appearance: Colorless to light yellow Liquid
BRN: 106540 · 106540
InChI: InChI=1S/C5H9NO/c7-5-6-3-1-2-4-6/h5H,1-4H2
InChIKey: AGRIQBHIKABLPJ-UHFFFAOYSA-N
SMILES: N1(C=O)CCCC1
CAS DataBase Reference: 3760 · 3760-54-1(CAS DataBase Reference)
FDA UNII: 74 GWE7WD · LO74GWE7WD
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H335-H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
PPE: Eyeshields, Gloves
Safety Statements: 23 · 23-24/25
WGK Germany: 3 · 3
F: 10 · 10
Storage Class: 10 · 10 - Combustible liquids

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.

Hazard information

Hazards SummaryMay cause irritation; [Aldrich MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

F: 10
PPE: Eyeshields, Gloves
wgk: 3
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 23-24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H302-H335-H315-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm

Applications

Uses1-Formylpyrrolidine was used in the synthesis of 1-oxa-3,4-dimethyl-5-(1-pyrrolldino)-2,2-di(tert-butyl)silacyclopentane and 1-oxa-4-isopropyl-5-(1-pyrrolidino)-2,2-di(tert-butyl)silacyclopentane.

General Description1-Formylpyrrolidine is the monomer constituent of gas clathrate inhibitor.