4-Bromo-2-methylpyridine

HCID 2762835CAS 22282-99-1

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Grundinformationen

Standard-SMILES: Cc1cc(Br)ccn1
InChIKey: JFBMFWHEXBLFCR-UHFFFAOYSA-N
Summenformel: C6H6BrN
Durchschnittliche Molmasse: 172,02 g/mol
Monoisotopische Masse: 170,96836129

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-2-methylpyridine
IUPAC: 4-bromo-2-methylpyridine
Englischer Name: 4-Bromo-2-methylpyridine
Summenformel: C6H6BrN
Molmasse: 172.02

Namen und Synonyme

4-Bromo-2-methylpyridine22282-99-1DTXSID20376496RefChem:290771DTXCID20327524624-896-34-Bromo-2-picoline2-Methyl-4-bromopyridine4-bromo-2-methyl-pyridineMFCD037881964-bromo-2-methyl pyridine4bromo-2-methylpyridine

Weitere Namen anzeigen

-4-bromopyridineCHEMBRDG-BB 40141014-BROMO-2-PICOLINE HCL4-BROMO-METHYL-PYRIDINE4-Bromo-2-methylpyridie4-bormo-2-methylpyridine4-BroMo-2-Methylpyridine0

4-bromo-2-methylpyridin4-bromo-6-methylpyridineCHEMBL2087645HY-W007447Pyridine, 4-bromo-2-methyl-AN-584/434133204-bromopicolineBCP22098

Datenbank-Bezeichner

CAS: 22282-99-1
PubChem CID: 2762835
DTXSID: DTXSID20376496
ChEMBL: CHEMBL2087645
EC Number: 624-896-3
Nikkaji: J2.921.672J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
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: 26 · 26-27°
Siedepunkt: 76 °C · 76 °C / 14mmHg
Dichte: 1.45 g/mL · 1.450 g/mL at 25 °C
Brechungsindex: 20 · n 20/D 1.556
Flammpunkt: 174 °F · 174 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: Dichloromethane
Aggregatzustand: Pale Yellow Liquid
pka: 4.38 · 4.38±0.10(Predicted)
Farbe: Colorless to Light yellow to Light orange
Wasserlöslichkeit: Miscible with dichloromethane. Immiscible with water.
InChI: InChI=1S/C6H6BrN/c1-5-4-6(7)2-3-8-5/h2-4H,1H3
InChIKey: JFBMFWHEXBLFCR-UHFFFAOYSA-N
SMILES: C1(C)=NC=CC(Br)=C1
CAS Datenbank: 22282 · 22282-99-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (96%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (96%)

Sicherheitsdaten

wgk: 3
ridadr: NA 1993 / PGIII
hs_code: 29333990
risk_code: 22-37/38-41-36/37/38-20/21/22
hazard_code: Xn,Xi
safety_code: 26-36/39-36
hazard_class: IRRITANT
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden4-Bromo-2-methylpyridine is a starting material used in a synthesis of crown-ester-bipyridines and viologens via sodium or nickel reductive coupling, side chain oxidation and esterification.