2-Chlor-3-methylpyridin

2-Chloro-3-methylpyridine

HCID 87603CAS 18368-76-8

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Grundinformationen

Standard-SMILES: Cc1cccnc1Cl
InChIKey: RKVUCIFREKHYTL-UHFFFAOYSA-N
Summenformel: C6H6ClN
Durchschnittliche Molmasse: 127,57 g/mol
Monoisotopische Masse: 127,01887687

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-3-methylpyridine
IUPAC: 2-chloro-3-methylpyridine
Lokaler Name: 2-Chlor-3-methylpyridin
Englischer Name: 2-Chloro-3-methylpyridine
Summenformel: C6H6ClN
Molmasse: 127.57

Namen und Synonyme

2-Chloro-3-methylpyridine18368-76-8EINECS 242-242-1DTXSID00171461RefChem:468727DTXCID2093952242-242-12-Chloro-3-picoline2-Chloro 3-methylpyridineMFCD00234177Pyridine, 2-chloro-3-methyl-2-chloro-3-methyl-pyridine

Weitere Namen anzeigen

2-Chlor-3-methylpyridin2-CHLORO-3-METHYLPYRRIDINE2-Chloro-3-Pilcoline2-CHLORO-3-METHYLP...2-Chloro-3-picoline,98%2-Choro-3-methypyridine2-Chloro-3-mehyl pyridine

2-chloro-methyl-pyridine2-Chloro-3-methylpyridine, 97%AB05179SY017766C1885EN300-560573-Picoline, 2-chloro-2-chloro-3-methyl pyridine

Datenbank-Bezeichner

CAS: 18368-76-8
PubChem CID: 87603
DTXSID: DTXSID00171461
ChEMBL: CHEMBL4648536
EC Number: 242-242-1
Nikkaji: J100.608H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
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: 193 °C · 193 °C
Siedepunkt: 192 · 192-193 °C/751 mmHg (lit.)
Dichte: 1.17 g/mL · 1.17 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.533(lit.)
Flammpunkt: 175 °F · 175 °F
storage temp.: Inert atmosphere,Room Temperature
pka: 0.75 · 0.75±0.10(Predicted)
Aggregatzustand: Liquid
Farbe: Colorless to light yellow
Wichte: 1.17 · 1.170
BRN: 107895 · 107895
InChI: InChI=1S/C6H6ClN/c1-5-3-2-4-8-6(5)7/h2-4H,1H3
InChIKey: RKVUCIFREKHYTL-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=CC=C1C
CAS Datenbank: 18368 · 18368-76-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (12.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (12.8%)

Sicherheitsdaten

wgk: 3
ridadr: 2810
hs_code: 29333990
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36-36/37/39
hazard_class: 6.1
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung2-Chloro-3-methylpyridine is an intermediate for many medicines and pesticides, such as fluazifop, nicosulfuron, and fluazifop. Moreover, with the gradual promotion of these new high-efficiency and low-toxic heterocyclic pesticides, 2-chloro-3-methylpyridine is increasing. The industrial method for preparing 2-chloro-3-methylpyridine is to obtain it by site-specific chlorination of 3-methylpyridine. First, 3-methylpyridine is epoxidized and then chlorinated. The main chlorinated 3-methylpyridine is a mixture of 2-chloro-3-methylpyridine and 2-chloro-5-methylpyridine, of which 2-chloro-3-methylpyridine accounts for 20% (mass).

Verwenden2-Chloro-3-methylpyridine is an active ingredient and a major constituent of imidaclopide, a systemic insecticide that acts as insect neurotoxin and belongs to a class of chemical called the neonicotinoids.