2-Chlor-4-methylpyridin

2-Chloro-4-methylpyridine

HCID 77248CAS 3678-62-4

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Grundinformationen

Standard-SMILES: Cc1ccnc(Cl)c1
InChIKey: MZVSTDHRRYQFGI-UHFFFAOYSA-N
Summenformel: C6H6ClN
Durchschnittliche Molmasse: 127,57 g/mol
Monoisotopische Masse: 127,01887687

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-4-methylpyridine
IUPAC: 2-chloro-4-methylpyridine
Lokaler Name: 2-Chlor-4-methylpyridin
Englischer Name: 2-Chloro-4-picoline
Summenformel: C6H6ClN
Molmasse: 127.57

Namen und Synonyme

2-Chloro-4-methylpyridine3678-62-4DTXSID30190241EINECS 222-951-2RefChem:469069DTXCID40112732222-951-22-Chloro-4-picolinePyridine, 2-chloro-4-methyl-MFCD000234182-chloro-4-methyl-pyridine2-Chloro-4methylpyridine

Weitere Namen anzeigen

2-CHLOROPICOLINE2-Chloro-4-Pilcoline2-CHLORO-GAMMA-PICOLINE2-Chlor-4-methylpyridin2-Chloro-4-picoline,98%2-chloro-4-methylpyrdine2-Chloro-4-mehyl pyridine

2-chlor-4-methyl pyridineCS-W011139PB100512-Chloro-4-Methyl Pyridine4-Picoline, 2-chloro-2-chlor-4-methylpyridineFT-06349574-methyl-2-chloropyridine

Datenbank-Bezeichner

CAS: 3678-62-4
PubChem CID: 77248
DTXSID: DTXSID30190241
EC Number: 222-951-2
Nikkaji: J100.609F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 74,9

Physikochemische Eigenschaften

Schmelzpunkt: 115 °C · 115°C
Siedepunkt: 194 · 194-195 °C (lit.)
Dichte: 1.142 g/mL · 1.142 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.529(lit.)
Flammpunkt: 193 °F · 193 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: Liquid
pka: 0.94 · 0.94±0.10(Predicted)
Wichte: 1.14 · 1.14
Farbe: Clear colorless to light yellow
InChI: InChI=1S/C6H6ClN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3
InChIKey: MZVSTDHRRYQFGI-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=CC(C)=C1
CAS Datenbank: 3678 · 3678-62-4(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Cl-4-(CH3)-pyridine(3678-62-4)

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 43 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: 29349990
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36-36/37/39
hazard_class: IRRITANT, IRRITANT-HARMFUL
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Chloro-4-methylpyridine is used as a reagent in the synthesis of the mGLUR5 modulators imidazolyl-ethynyl-pyridines as potential antipsychotics. It is also used in the preparation of trifluoromethyl(pyrimidinyl)azetidinecarboxamides as potent, orally bioavailable TGR5 agonists.