4-(Chlormethyl)pyridiniumchlorid
4-(Chloromethyl)pyridinium chloride
Grundinformationen
- CAS
1822-51-1- Standard-SMILES
Cl.ClCc1ccncc1- InChIKey
ZDHKVKPZQKYREU-UHFFFAOYSA-N- Summenformel
- C6H7Cl2N
- Durchschnittliche Molmasse
- 164,03 g/mol
- Monoisotopische Masse
- 162,9955546
Namen und Bezeichner
- Bevorzugter Name
- 4-(Chloromethyl)pyridinium chloride
- IUPAC
- 4-(chloromethyl)pyridine;hydrochloride
- Lokaler Name
- 4-(Chlormethyl)pyridiniumchlorid
- Englischer Name
- 4-(Chloromethyl)pyridine hydrochloride
- Summenformel
- C6H6ClN.ClH
- Molmasse
- 164.03
Namen und Synonyme
4-(Chloromethyl)pyridinium chloridePyridine, 4-(chloromethyl)-, hydrochlorideDTXSID00171264RefChem:515673DTXCID10937554-(Chloromethyl)-pyridinium chloride217-350-74-(Chloromethyl)pyridine hydrochloride1822-51-14-Picolyl chloride hydrochloride4-Chloromethylpyridine hydrochloride4-Chloromethyl-pyridine hydrochloride
Weitere Namen anzeigen
4-Picolyl chlorideTIMTEC-BB SBB0039174-Picolyl chloride h4-Plcolyl Chloride Hydrochloride4-(Chloromethyl) Pyridine HCL 99%4-(Chloromethyl)pyridine hydrochl4-Chloromethylpyridine chlorhydrate
MFCD000128264-(chloromethyl)pyridine;hydrochloridePyridine, 4-(chloromethyl)-, hydrochloride (1:1)NSC-664834-(chloromethyl)pyridine, chloride4-CHLOROMETHYLPYRIDINE4-(CHLOROMETHYL)PYRIDINE HCLCCRIS 1728
Datenbank-Bezeichner
- CAS
1822-51-1- PubChem CID
- 74570
- DTXSID
DTXSID00171264- ChEMBL
CHEMBL4593693- UNII
- W6PTX3LTA8
- EC Number
- 217-350-7
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 12,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 59,5
Physikochemische Eigenschaften
- Schmelzpunkt
- 166 · 166-173 °C(lit.)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- Löslichkeit
- soluble in DMSO, Methanol
- Aggregatzustand
- Fine Crystalline Powder
- Farbe
- Yellow to orange
- Wasserlöslichkeit
- 750 g/L · 750 g/L (20 ºC)
- BRN
- 3689154 · 3689154
- InChI
- InChI=1S/C6H6ClN.ClH/c7-5-6-1-3-8-4-2-6;/h1-4H,5H2;1H
- InChIKey
- ZDHKVKPZQKYREU-UHFFFAOYSA-N
- SMILES
- C1=NC=CC(CCl)=C1.[H]Cl
- CAS Datenbank
- 1822 · 1822-51-1(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H302 (16.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, 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 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information4-(Chloromethyl)-pyridinium chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (16.3%)
Sicherheitsdaten
- F
- 3-10
- wgk
- 3
- ridadr
- UN 3261 8/PG 3
- hs_code
- 2933399090
- risk_code
- 34-4-22-36/37/38
- hazard_code
- C,Xi
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45-36
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Skin Corr. 1B
Chemie und Industrie
Anwendungen
VerwendenIt finds its application as a reagent for protection of carboxyl termini of peptides as 4-picolyl esters, providing a polar 'handle' which aids in separation and purification of the peptide. The group can be introduced in the presence of a base, e.g. tetramethylguanidine, is stable to acid-catalyzed removal of Cbz protecting group and can be removed by base, Na in liquid ammonia or catalytic hydrogenolysis. It is also applied in conjunction with Amberlyst15 resin in peptide synthesis. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.
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