2-Bromo-4-ethylpyridine

HCID 4114248CAS 54453-91-7

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Grundinformationen

Standard-SMILES: CCc1ccnc(Br)c1
InChIKey: JMDIWBIWPAAWHP-UHFFFAOYSA-N
Summenformel: C7H8BrN
Durchschnittliche Molmasse: 186,05 g/mol
Monoisotopische Masse: 184,98401

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-4-ethylpyridine
IUPAC: 2-bromo-4-ethylpyridine
Englischer Name: 2-Bromo-4-ethylpyridine
Summenformel: C7H8BrN
Molmasse: 186.05

Namen und Synonyme

2-Bromo-4-ethylpyridine54453-91-7DTXSID30399459RefChem:257200DTXCID60350316803-831-42-bromo-4-ethyl-pyridine2-Bromo-4-ethyl pyridinePyridine, 2-bromo-4-ethyl-MFCD020942264-Ethyl-2-bromopyridineSCHEMBL648113

Weitere Namen anzeigen

2-BROMO-4-ETHYLPYRDINE2-Bromo-4-ethylpyridine ISO 9001：2015 REACH

SCHEMBL14157164SCHEMBL20917665SCHEMBL254052372-Bromo-4-ethylpyridine, 96%JMDIWBIWPAAWHP-UHFFFAOYSA-N2-Bromo-4-ethylpyridine, AldrichCPRAKOS006280220AC-5289

Datenbank-Bezeichner

CAS: 54453-91-7
PubChem CID: 4114248
DTXSID: DTXSID30399459
EC Number: 803-831-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 85

Physikochemische Eigenschaften

Siedepunkt: 68 · 68-70°[email protected] Hg
Dichte: 1.425 g/cm3 · 1.425 g/cm3(Temp: 25 °C)
storage temp.: 2 · Sealed in dry,2-8°C
Löslichkeit: Chloroform, Ether, Ethyl Acetate
Aggregatzustand: Yellow Liquid
pka: 1.59 · 1.59±0.10(Predicted)
InChI: 1S/C7H8BrN/c1-2-6-3-4-9-7(8)5-6/h3-5H,2H2,1H3
InChIKey: JMDIWBIWPAAWHP-UHFFFAOYSA-N
SMILES: CCc1ccnc(Br)c1
CAS Datenbank: 54453 · 54453-91-7(CAS DataBase Reference)

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 (97.5%): 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 40 reports by companies from 3 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.