3-Bromo-4-methylpyridine

HCID 817630CAS 3430-22-6

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Grundinformationen

Standard-SMILES: Cc1ccncc1Br
InChIKey: GSQZOLXWFQQJHJ-UHFFFAOYSA-N
Summenformel: C6H6BrN
Durchschnittliche Molmasse: 172,02 g/mol
Monoisotopische Masse: 170,96836129

Namen und Bezeichner

Bevorzugter Name: 3-Bromo-4-methylpyridine
IUPAC: 3-bromo-4-methylpyridine
Englischer Name: 3-Bromo-4-methylpyridine
Summenformel: C6H6BrN
Molmasse: 172.02

Namen und Synonyme

3-Bromo-4-methylpyridine3430-22-6DTXSID80355828RefChem:93180DTXCID50306887608-967-63-Bromo-4-picoline4-Methyl-3-bromopyridinePYRIDINE, 3-BROMO-4-METHYL-MFCD000825923-Bromo-4-methyl-pyridineSCHEMBL314379

Weitere Namen anzeigen

Bromomethylpyridine4-Methyihebio3-Bromo-4-methylpyri3-Bromo-4-methylpyridins3--4- MethylpyridinebroMide

3-Bromo-4-methylpyridine, 96%BR1702CS-W019971SY005820AC-907/250141093-Bromo-4-methylpy3-bromo4-methylpyridineTofacitinib Intermediates

Datenbank-Bezeichner

CAS: 3430-22-6
PubChem CID: 817630
DTXSID: DTXSID80355828
UNII: Z5F2SPZ2AD
EC Number: 608-967-6
Nikkaji: J1.803.224D

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: 199 · 199-200 °C(lit.)
Dichte: 1.549 g/mL · 1.549 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.56(lit.)
Flammpunkt: 175 °F · 175 °F
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Chloroform, Methanol
pka: 3.54 · 3.54±0.18(Predicted)
Aggregatzustand: Liquid
Wichte: 1.549 · 1.549
Farbe: Clear colorless to yellow
BRN: 878354 · 878354
InChI: InChI=1S/C6H6BrN/c1-5-2-3-8-4-6(5)7/h2-4H,1H3
InChIKey: GSQZOLXWFQQJHJ-UHFFFAOYSA-N
SMILES: C1=NC=CC(C)=C1Br
CAS Datenbank: 3430 · 3430-22-6(CAS DataBase Reference)

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 49 reports by companies from 9 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
ridadr: Cool, dry,tightly closed
hs_code: 29339900
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36-2636
hazard_class: IRRITANT
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-Bromo-4-methylpyridine may be used as a building block in the preparation of:substituted 4-(2,2-diphenylethyl)pyridine-N-oxides for use as potent phosphodiesterase type 4 (PDE4) inhibitorsbenzodiazepine site ligands bearing tricyclic pyridone moiety for human GABAA receptora novel isomer of ascididemin3-bromopyridine-4-carbonitrile