CAS 5093-70-9 4-Bromo-2,6-dimethylpyridine (HCID 13081735)

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Grundinformationen

CAS: 5093-70-9
Standard-SMILES: Cc1cc(Br)cc(C)n1
InChIKey: VTRFAYHJKSKHGY-UHFFFAOYSA-N
Summenformel: C7H8BrN
Durchschnittliche Molmasse: 186,05 g/mol
Monoisotopische Masse: 184,98401

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-2,6-dimethylpyridine
IUPAC: 4-bromo-2,6-dimethylpyridine
Englischer Name: 4-Bromo-2,6-dimethylpyridine
Summenformel: C7H8BrN
Molmasse: 186.05

Namen und Synonyme

4-bromo-2,6-dimethylpyridine5093-70-9DTXSID40517602RefChem:98044DTXCID40468408687-944-24-Bromo-2,6-dimethyl-pyridineMFCD00671475PYRIDINE, 4-BROMO-2,6-DIMETHYL-4-BROMO-2,6-LUTIDINE4-bromo-2, 6-lutidineAB06743

Weitere Namen anzeigen

4-Bromo-2,6-dimethypyridine2,6-Dimethyl-4-bromopyridine, >=98%4-bromo-2,6-dimethylpyridine hydrobromide4-bromo-2,6-dimethylpyridine(SALTDATA: FREE)4-Bromo-2,6-dimethylpyridine ISO 9001：2015 REACH

AC-63584-bromo-2,6-dimethylpyridine, AldrichCPR10.14272/VTRFAYHJKSKHGY-UHFFFAOYSA-N.1doi:10.14272/VTRFAYHJKSKHGY-UHFFFAOYSA-N.12.6-Dimethyl-4-bromopyridineSCHEMBL249664orb1908275SCHEMBL27819852

Datenbank-Bezeichner

CAS: 5093-70-9
PubChem CID: 13081735
DTXSID: DTXSID40517602
EC Number: 687-944-2
Nikkaji: J497.687H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 84

Physikochemische Eigenschaften

Schmelzpunkt: 28 · 28-32°C
Siedepunkt: 194 °C · 194 °C
Dichte: 1.415 · 1.415±0.06 g/cm3(Predicted)
Flammpunkt: 93 ℃ · 93℃
storage temp.: 2 · 2-8°C
pka: 5.41 · 5.41±0.10(Predicted)
Aggregatzustand: solid
InChI: InChI=1S/C7H8BrN/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3
InChIKey: VTRFAYHJKSKHGY-UHFFFAOYSA-N
SMILES: C1(C)=NC(C)=CC(Br)=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (95.1%): 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 41 reports by companies from 4 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.