CAS 2456-81-7 4-Pyrrolidinopyridine (HCID 75567)

Names & identifiers

Preferred name: 4-Pyrrolidinopyridine
IUPAC: 4-pyrrolidin-1-ylpyridine
English name: 4-Pyrrolidinopyridine
Molecular formula: C9H12N2
Molecular weight: 148.21

Names & synonyms

4-Pyrrolidinopyridine2456-81-7Pyridine, 4-(1-pyrrolidinyl)-4-pyrrolidino-pyridineDH59VKG9S4DTXSID90179299RefChem:526685DTXCID70101790219-534-24-(Pyrrolidin-1-yl)pyridine4-pyrrolidin-1-ylpyridine4-(1-Pyrrolidinyl)pyridine

Show more names

4-PPY4-PyrroL4-(1-PYRROLIDINO)PYRIDINEIOSTEROLidinopyridineTIMTEC-BB SBB004083Pyrrolidinyl pyridine

MFCD000064154-pyrrolidinylpyridineEINECS 219-534-2CHEMBL47548331-(4-Pyridyl)pyrrolidine4-(1-Pyrrolidinyl)pyridin4-pyrrolidin-1-yl-pyridine4-(1-Pyrrolidinyl)-pyridine; 4-(1-Pyrrolidino)pyridine; 4-(1-Pyrrolidinyl)pyridine; 4-(N-Pyrrolidinyl)pyridine

Database identifiers

CAS: 2456-81-7
PubChem CID: 75567
DTXSID: DTXSID90179299
ChEMBL: CHEMBL4754833
UNII: DH59VKG9S4
EC Number: 219-534-2
Nikkaji: J174K

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 16.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 113

Physicochemical properties

Melting point: 54 · 54-58 °C(lit.)
Boiling point: 171 · 171-173 °C (20.2527 mmHg)
Density: 1.0628 · 1.0628 (rough estimate)
refractive index: 1.5378 · 1.5378 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: 0.1 g/mL, · methanol: 0.1 g/mL, clear
pka: 9.58 · 9.58±0.10(Predicted)
form: Crystalline Mass, Crystals and/or Chunks
color: White to yellow to light brown
PH: 10.5 · 10.5 (3g/l, H2O, 21℃)
Water Solubility: 3 g/L · 3 g/L (21 ºC)
BRN: 472443 · 472443
InChI: 1S/C9H12N2/c1-2-8-11(7-1)9-3-5-10-6-4-9/h3-6H,1-2,7-8H2
InChIKey: RGUKYNXWOWSRET-UHFFFAOYSA-N
SMILES: C1CCN(C1)c2ccncc2
CAS DataBase Reference: 2456 · 2456-81-7(CAS DataBase Reference)
FDA UNII: 59 VKG9S4 · DH59VKG9S4
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H314
Precautionary statements: 260 · P260-P270-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: T
Risk Statements: 25 · 25-34-41-23/24/25
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2923 · UN 2923 8/PG 3
WGK Germany: 3 · 3
F: 8 · 8-10-23
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29333999 · 29333999
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralSkin · Acute Tox. 3 OralSkin Corr. 1B

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information4-(1-Pyrrolidinyl) pyridine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

F: 8-10-23
PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 2923 8/PG 3
hs_code: 29333999
risk_code: 25-34-41-23/24/25
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: T
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: II
Hazard statements: H301-H314
Hazard Classifications: Acute Tox. 3 OralSkin Corr. 1B
Precautionary statements: P260-P270-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Applications · 2 items

Description4-Pyrrolidinopyridine is the pyridine derivative. It can be used as catalyst employed in polymerization reactions or Hypernucleophilic acylation catalyst. For example, it can be used as the catalyst for the geometry-selective (E-selective) acylation of tetrasubstituted α, α'-alkenediols. It can also be used as the ligand in metal complexes such as the Chloride and pseudohalide hydride-carbonyl ruthenium(II) complexes.

UsesCatalyst employed in polymerization reactions. Ligand in metal complexes.