2-Bromo-3-methylpyridine

HCID 220832CAS 3430-17-9

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Grundinformationen

Standard-SMILES: Cc1cccnc1Br
InChIKey: PZSISEFPCYMBDL-UHFFFAOYSA-N
Summenformel: C6H6BrN
Durchschnittliche Molmasse: 172,02 g/mol
Monoisotopische Masse: 170,96836129

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-3-methylpyridine
IUPAC: 2-bromo-3-methylpyridine
Englischer Name: 2-Bromo-3-methylpyridine
Summenformel: C6H6BrN
Molmasse: 172.02

Namen und Synonyme

2-bromo-3-methylpyridine3430-17-9PZSISEFPCYMBDL-UHFFFAOYSA-DTXSID80277793RefChem:85682DTXCID70228951629-415-0InChI=1/C6H6BrN/c1-5-3-2-4-8-6(5)7/h2-4H,1H32-Bromo-3-picolineMFCD002393802-Bromo-3-methyl-pyridine3-methyl-2-bromopyridine

Weitere Namen anzeigen

2-Bromo-β-picoline2-bormo-3-methylpyridine2-Bromo-3-methylpyridine,95%2-BROMO-3-METHYLPYRIDINE 98%2-Bromo-3-methylpyridine >2-Bromo-3-methylpyridine, 98+%2-BroMo-3-Methylpyridine, 95% 5ML

2-bromo-3-methylpyridinPyridine, 2-bromo-3-methyl-NSC42442-bromo-3-mehtylpyridineSCHEMBL9573SCHEMBL229786orb2940347SCHEMBL1310638

Datenbank-Bezeichner

CAS: 3430-17-9
PubChem CID: 220832
DTXSID: DTXSID80277793
EC Number: 629-415-0
Nikkaji: J708.627J

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

Siedepunkt: 218 · 218-219 °C (lit.)
Dichte: 1.544 g/mL · 1.544 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.568(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Inert atmosphere,Room Temperature
pka: 1.08 · 1.08±0.10(Predicted)
Aggregatzustand: Liquid
Wichte: 1.55 · 1.55
Farbe: Clear slightly yellow to light brown
BRN: 107896 · 107896
InChI: InChI=1S/C6H6BrN/c1-5-3-2-4-8-6(5)7/h2-4H,1H3
InChIKey: PZSISEFPCYMBDL-UHFFFAOYSA-N
SMILES: C1(Br)=NC=CC=C1C
CAS Datenbank: 3430 · 3430-17-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (12.5%): 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 48 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 (12.5%)

Sicherheitsdaten

wgk: 3
hs_code: 29333990
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
hazard_note: Harmful
safety_code: 26-37/39-36/37/39-36
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

Verwenden2-Bromo-3-methylpyridine is a halogenated pyridine analogue containing a bromine functional group. The substance is used as a reaction reagent and as a basic structural unit in organic synthesis for the preparation of other heterocyclic compounds.