5-Bromo-2-ethoxypyridine
Grundinformationen
- CAS
55849-30-4- Standard-SMILES
CCOc1ccc(Br)cn1- InChIKey
WQXZKMUZWPUZGL-UHFFFAOYSA-N- Summenformel
- C7H8BrNO
- Durchschnittliche Molmasse
- 202,05 g/mol
- Monoisotopische Masse
- 200,97893
Namen und Bezeichner
- Bevorzugter Name
- 5-Bromo-2-ethoxypyridine
- IUPAC
- 5-bromo-2-ethoxypyridine
- Englischer Name
- 5-Bromo-2-ethoxypyridine
- Summenformel
- C7H8BrNO
- Molmasse
- 202.05
Namen und Synonyme
5-Bromo-2-ethoxypyridine55849-30-4DTXSID50355774RefChem:102122DTXCID60306833611-323-72-ethoxy-5-bromopyridine5-bromo-2-ethoxy-pyridineMFCD002343113-BROMO-6-ETHOXYPYRIDINE5-bromo-ethoxy-pyridineSCHEMBL156935
Weitere Namen anzeigen
5-Bromo-2-ethoxypyriBromo-2-ethoxypyridine5-Bromo-2-ethyxoypyridine5-bromo-2-ethyloxypyridine5-Bromo-2-ethoxypyridine>5-Bromo-2-ethoxypyridine 99%
5-Bromo-2-ethoxypyridine, 97%AB05210SY018882CS-0014710AC-907/25004667Pyridine, 5-bromo-2-ethoxy-A8062AM20070041
Datenbank-Bezeichner
- CAS
55849-30-4- PubChem CID
- 817237
- DTXSID
DTXSID50355774- EC Number
- 611-323-7
- Nikkaji
- J894.898D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 22,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 99
Physikochemische Eigenschaften
- Schmelzpunkt
- 32 · 32-36 °C (lit.)
- Siedepunkt
- 107 °C/33mmHg · 107°C/33mmHg(lit.)
- Dichte
- 1.449 · 1.449±0.06 g/cm3(Predicted)
- Flammpunkt
- 218 °F · 218 °F
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- Solid
- pka
- 1.68 · 1.68±0.22(Predicted)
- Farbe
- Off-white to pale yellow
- InChI
- InChI=1S/C7H8BrNO/c1-2-10-7-4-3-6(8)5-9-7/h3-5H,2H2,1H3
- InChIKey
- WQXZKMUZWPUZGL-UHFFFAOYSA-N
- SMILES
- C1(OCC)=NC=C(Br)C=C1
- CAS Datenbank
- 55849 · 55849-30-4(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (87%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (95.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (97.8%)；Skin Irrit. 2 (97.8%)；Skin Sens. 1 (87%)；Eye Dam. 1 (95.7%)；STOT SE 3 (95.7%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 22-37/38-41
- hazard_code
- Xn,Xi
- hazard_note
- Harmful
- safety_code
- 26-36/39
- hazard_class
Chemie und Industrie
Anwendungen
Verwenden5-Bromo-2-ethoxypyridine serves as a precursor for the synthesis of 6,6'-diethoxy-3,3'-bipyridine via nickel-catalyzed coupling[3].
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