CAS 352530-29-1 4-Ethynylpyridine hydrochloride (HCID 16216931)

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Grundinformationen

CAS: 352530-29-1
Standard-SMILES: C#Cc1ccncc1.Cl
InChIKey: KFBZWZGIZHLUBX-UHFFFAOYSA-N
Summenformel: C7H6ClN
Durchschnittliche Molmasse: 139,58 g/mol
Monoisotopische Masse: 139,01887687

Namen und Bezeichner

Bevorzugter Name: 4-Ethynylpyridine hydrochloride
IUPAC: 4-ethynylpyridine;hydrochloride
Englischer Name: 4-Ethynylpyridine hydrochloride
Summenformel: C7H6ClN
Molmasse: 139.58

Namen und Synonyme

4-Ethynylpyridine hydrochlorideRefChem:522964627-680-7352530-29-14-ETHYNYLPYRIDINE HCLMFCD030939124-ethynylpyridine;hydrochloride4-Ethynylpyridinehychloride salt4-Ethynylpyridine Hydrochloride (>85%)4-EthynylpyridinehydrochloridePyridine, 4-ethynyl-, hydrochloride4-ethynylpyridine,hydrochloride

Weitere Namen anzeigen

4-EthynyLCAS:352530-29-1pyridine hydrochL4-pyridylacetylene HCl4-Ethynylpyridine hychlorideREF DUPL: 4-pyridylacetylene HCl

4-Ethynyl-Pyridine Hydrochlorideorb3218050SCHEMBL11907334-Pyridylacetylene Hydrochloride4-ethynyl pyridine hydrochlorideDTXSID50584183AKOS015846967AC-7563

Datenbank-Bezeichner

CAS: 352530-29-1
PubChem CID: 16216931
DTXSID: DTXSID50584183
EC Number: 627-680-7

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 103

Physikochemische Eigenschaften

Schmelzpunkt: 150 °C · 150 °C (dec.) (lit.)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: solid
Farbe: Yellow to Brown to Dark green
InChI: InChI=1S/C7H5N.ClH/c1-2-7-3-5-8-6-4-7;/h1,3-6H;1H
InChIKey: KFBZWZGIZHLUBX-UHFFFAOYSA-N
SMILES: C(C1=CC=NC=C1)#C.Cl

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29333999
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-Ethynylpyridine hydrochloride may be used in the preparation of the following 2-methyl-6-(phenylethynyl)pyridine (MPEP) analogs:1,4-bis(pyridin-4-ylethynyl)benzene4-((5,5-dimethyl-1,3,2-dioxaborinan-2-yl)ethynyl)pyridyl 4-((3-iodophenyl)ethynyl)pyridine4-((4-iodophenyl)ethynyl)pyridine1,4-di(pyridine-4-yl)buta-1,3-diyneIt may also be used in the preparation of:(rac)-2,8-bis(4-pyridylethynyl)-4,10-dimethyl-5,11-methano-6H,12H-dibenzo[b,f][1,5]diazocine, a Trger′s base derived bis(pyridyl) ligand(2RS,6RS)-2-(4-methoxyphenyl)-6-(2-(4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl)ethyl)dihydro-2H-pyran-4(3H)-one, a substituted tetrahydropyroneBINOL (1,1′-bi-2-naphthol)-based bis(4-pyridyl) ligands