2-Chlor-1-methylpyridiniumiodid

2-Chloro-1-methylpyridinium iodide

HCID 167069CAS 14338-32-0

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Grundinformationen

Standard-SMILES: C[n+]1ccccc1Cl.[I-]
InChIKey: ABFPKTQEQNICFT-UHFFFAOYSA-M
Summenformel: C6H7ClIN
Durchschnittliche Molmasse: 255,48 g/mol
Monoisotopische Masse: 254,9311749

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-1-methylpyridinium iodide
IUPAC: 2-chloro-1-methylpyridin-1-ium iodide
Lokaler Name: 2-Chlor-1-methylpyridiniumiodid
Englischer Name: 2-Chloro-1-methylpyridinium iodide
Summenformel: C6H7ClIN
Molmasse: 255.48

Namen und Synonyme

2-Chloro-1-methylpyridinium iodide14338-32-0Mukaiyama ReagentN-methyl-2-chloropyridinium iodidePyridinium, 2-chloro-1-methyl-, iodide1-methyl-2-chloropyridinium iodide2-Chloro-N-methylpyridinium iodide2-chloropyridine methiodideUNII-RLQ88NYZ68EINECS 238-288-7RLQ88NYZ68NSC-200739

Weitere Namen anzeigen

CMPI2-chloro-1-Methylpyridin-1-iuM iodide2-Chloro-1-methylpyridine iodide2-Chloro-1-methylpyridinium iodide,97%2-CHLORO-1-METHYLPYRIDINIUM IODIDE FOR S2-Chloro-1-methylpyrVonoprazan Impurity 139Epinastine Impurity 26 Iodide

2-Chloro-1-methylpyridinium iodide (1:1)MUKAIYAMA REAGENT [MI]DTXSID6022260NSC 200739RefChem:861302Chloropyridine methiodide1Methyl2chloropyridinium iodideDTXCID402260

Datenbank-Bezeichner

CAS: 14338-32-0
PubChem CID: 167069
DTXSID: DTXSID6022260
UNII: RLQ88NYZ68
EC Number: 238-288-7

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 3,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 74,9

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Pyridines

Physical DescriptionNearly colorless or pale yellow solid; [Merck Index] Yellow hygroscopic powder; [Acros Organics MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 200 °C · 200 °C (dec.) (lit.)
Dichte: 1.7949 · 1.7949 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: Crystalline Powder and/or Chunks
Farbe: Yellow
Wasserlöslichkeit: soluble
Merck: 14 · 14,6301
BRN: 3572320 · 3572320
InChI: InChI=1S/C6H7ClN.HI/c1-8-5-3-2-4-6(8)7;/h2-5H,1H3;1H/q+1;/p-1
InChIKey: ABFPKTQEQNICFT-UHFFFAOYSA-M
SMILES: C1(Cl)C=CC=C[N+]=1C.[I-]
CAS Datenbank: 14338 · 14338-32-0(CAS DataBase Reference)
EPA chemische Informationen: 2 · 2-Chloro-1-methylpyridinium iodide (14338-32-0)

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 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information2-Chloro-1-methylpyridinium iodide: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; [Acros Organics MSDS] See 3-Chloropyridine. See Iodine for the TLV of Iodides.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheit und Schutzausrüstung

Threshold Limit Values (TLV)0.01 [ppm], inhalable fraction and vapor, (iodides)

Sicherheitsdaten

F: 8-21
wgk: 3
ridadr: 1759
hs_code: 29333999
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-24/25-36
hazard_class: 8
packing_group: III
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

UsesUsed as a condensation reagent in organic synthesis; [Merck Index]

Anwendungen · 1 Eintrag

Verwenden2-Chloro-1-methylpyridinium iodide is a reagent in a wide variety of dehydrative coupling reactions. It is also used to form carboxylate esters from acids and alcohols, carboxamides from acids and amines, lactones from -hydroxy acids and carbodiimides from N,N-disubstituted thioureas.