2-Bromo-4-methylpyridine

HCID 2734087CAS 4926-28-7

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Grundinformationen

Standard-SMILES: Cc1ccnc(Br)c1
InChIKey: LSZMVESSGLHDJE-UHFFFAOYSA-N
Summenformel: C6H6BrN
Durchschnittliche Molmasse: 172,02 g/mol
Monoisotopische Masse: 170,96836129

Namen und Bezeichner

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

Namen und Synonyme

2-Bromo-4-methylpyridine4926-28-7DTXSID00370114RefChem:257253DTXCID90321150625-590-22-Bromo-4-picoline2-Bromo-4-methyl-pyridinePyridine, 2-bromo-4-methyl-MFCD000825902-bromo 4-methylpyridine2-Bromo-4-methyl pyridine

Weitere Namen anzeigen

2--4- MethylpyridinebroMideRARECHEM AH CK 0041-Bromo-4-methylpyridine4-amino-2-bromppyridine2-Bromo-4-MythylPyridine4-Methyl-2-bromopyridine2-bormo-4-methylpyridine2-BROMO-4-MEFHYL PYRIDINE

SCHEMBL130232AKOS005145600HY-W007579BP-21189SY001870EN300-658904-Methyl-2-bromopyridine; 2-Bromo-4-methylpyridine;2-Bromo4-methylpyridine

Datenbank-Bezeichner

CAS: 4926-28-7
PubChem CID: 2734087
DTXSID: DTXSID00370114
EC Number: 625-590-2
Nikkaji: J432.975I

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

Siedepunkt: 87 °C/10 · 87 °C/10 mmHg (lit.)
Dichte: 1.545 g/mL · 1.545 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.561(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Methanol (Slightly)
pka: 1.46 · 1.46±0.10(Predicted)
Aggregatzustand: Liquid
Farbe: Clear yellow
Wichte: 1.545 · 1.545
BRN: 107331 · 107331
InChI: InChI=1S/C6H6BrN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3
InChIKey: LSZMVESSGLHDJE-UHFFFAOYSA-N
SMILES: C1(Br)=NC=CC(C)=C1
CAS Datenbank: 4926 · 4926-28-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (14.3%): 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 49 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 (14.3%)

Sicherheitsdaten

wgk: 3
hs_code: 29339900
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36-36/37/39
hazard_class: IRRITANT
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Bromo-4-methylpyridine may be used:in the total synthesis of ocular age pigment A2-E (2 equiv of retinal (vitamin A) and 1 equiv of ethanolamine)in the preparation of methoxy-2-(2-pyridyl)indolesin the preparation of 2-(2′,4′-difluorophenyl)-4-methylpyridine, via a Suzuki coupling reaction with 2,4-difluorophenylboronic acid