5-Bromo-2-(2-methylphenyl)pyridine

HCID 13128385

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Grundinformationen

CAS: 88345-94-2
Standard-SMILES: Cc1ccccc1-c1ccc(Br)cn1
InChIKey: QKYDTWSRQURVQZ-UHFFFAOYSA-N
Summenformel: C12H10BrN
Durchschnittliche Molmasse: 248,12 g/mol
Monoisotopische Masse: 246,99966

Namen und Bezeichner

Bevorzugter Name: 5-Bromo-2-(2-methylphenyl)pyridine
IUPAC: 5-bromo-2-(2-methylphenyl)pyridine
Englischer Name: 5-Bromo-2-(2-methylphenyl)pyridine
Summenformel: C12H10BrN
Molmasse: 248.12

Namen und Synonyme

5-Bromo-2-(2-methylphenyl)pyridine88345-94-2DTXSID50520268RefChem:102107DTXCID00471074632-969-65-bromo-2-o-tolylpyridinePyridine, 5-bromo-2-(2-methylphenyl)-MFCD147072505-bromo-2-(o-tolyl)pyridine3-Bromo-6-(2-tolyl)pyridineSCHEMBL2005454

Weitere Namen anzeigen

QKYDTWSRQURVQZ-UHFFFAOYSA-NAKOS015941887CS-40306DB-317401DB-413555CS-0193158E91039A1-07932

Datenbank-Bezeichner

CAS: 88345-94-2
PubChem CID: 13128385
DTXSID: DTXSID50520268
EC Number: 632-969-6
Nikkaji: J3.273.850H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,6
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 183

Physikochemische Eigenschaften

Siedepunkt: 306 · 306.0±27.0 °C(Predicted)
Dichte: 1.375 · 1.375±0.06 g/cm3(Predicted)
pka: 2.16 · 2.16±0.22(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.