2-(Bromomethyl)-6-methylpyridine

HCID 12543733CAS 68470-59-7

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Grundinformationen

Standard-SMILES: Cc1cccc(CBr)n1
InChIKey: WJFDCFHWFHCLIW-UHFFFAOYSA-N
Summenformel: C7H8BrN
Durchschnittliche Molmasse: 186,05 g/mol
Monoisotopische Masse: 184,98401136

Namen und Bezeichner

Bevorzugter Name: 2-(Bromomethyl)-6-methylpyridine
IUPAC: 2-(bromomethyl)-6-methylpyridine
Englischer Name: 2-(Bromomethyl)-6-methylpyridine
Summenformel: C7H8BrN
Molmasse: 186.05

Namen und Synonyme

2-(Bromomethyl)-6-methylpyridine68470-59-7DTXSID50501956RefChem:253370DTXCID40452766627-782-12-Bromomethyl-6-methylpyridineMFCD04967229pyridine, 2-(bromomethyl)-6-methyl-2-(bromomethyl)-6-methyl-pyridine2-bromomethyl-6-methyl-pyridine2-methyl-6-bromomethyl-pyridine

Weitere Namen anzeigen

AKOS B016008ART-CHEM-BB B016008Bromomethyl)-6-methylpyridine6-Methyl-2-(bromomethyl)pyridine2-(BroMoMethyl)-6-Methylpyridine 97%2-(Bromomethyl)-6-methylpyridine ,97%Pyridine, 2-(bromomethyl)-6-methyl- (6CI, 9CI)2-(Bromomethyl)-6-methylpyridine ISO 9001：2015 REACH

2-(bromomethyl)-6-methyl pyridineCS-W0082512-(Bromomethyl)-6-methylpyridine, 97%WJFDFT-0651819SCHEMBL5155SCHEMBL6903641SCHEMBL29419394

Datenbank-Bezeichner

CAS: 68470-59-7
PubChem CID: 12543733
DTXSID: DTXSID50501956
EC Number: 627-782-1
Nikkaji: J2.062.753K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 85

Physikochemische Eigenschaften

Schmelzpunkt: 38 · 38-42 °C
Siedepunkt: 209.9 · 209.9±25.0 °C(Predicted)
Dichte: 1.448 · 1.448±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
Aggregatzustand: solid
pka: 4.16 · 4.16±0.12(Predicted)
InChI: InChI=1S/C7H8BrN/c1-6-3-2-4-7(5-8)9-6/h2-4H,5H2,1H3
InChIKey: WJFDCFHWFHCLIW-UHFFFAOYSA-N
SMILES: C1(CBr)=NC(C)=CC=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.