5-Bromo-2-methoxypyridine

HCID 2734895CAS 13472-85-0

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Grundinformationen

Standard-SMILES: COc1ccc(Br)cn1
InChIKey: XADICJHFELMBGX-UHFFFAOYSA-N
Summenformel: C6H6BrNO
Durchschnittliche Molmasse: 188,02 g/mol
Monoisotopische Masse: 186,96327591

Namen und Bezeichner

Bevorzugter Name: 5-Bromo-2-methoxypyridine
IUPAC: 5-bromo-2-methoxypyridine
Englischer Name: 5-Bromo-2-methoxypyridine
Summenformel: C6H6BrNO
Molmasse: 188.02

Namen und Synonyme

5-Bromo-2-methoxypyridine13472-85-0DTXSID60370559RefChem:533311DTXCID90321594603-856-92-methoxy-5-bromopyridinePYRIDINE, 5-BROMO-2-METHOXY-5-Bromo-2-methoxy-pyridineMFCD013189523-BROMO-6-METHOXYPYRIDINE5-bromo-2-methoxy pyridine

Weitere Namen anzeigen

5-Bromo-2- Methoxypyidine2-Methyloxy-5-bromo5-Bromo-2-methoxypyrPerampanel Impurity 10perampanel Impurity 505-BROMO-2-METHOXYPRIDINE5-Bromo-2-methyloxypyridine

2-methoxy-5-bromo-pyridineSCHEMBL1301665-bromo-2-(methyloxy)pyridineHY-327562-METHYLOXY-5-BROMOPYRIDINEBCP232925-Bromo-2-methoxy5-brom-2-methoxypyridin

Datenbank-Bezeichner

CAS: 13472-85-0
PubChem CID: 2734895
DTXSID: DTXSID60370559
UNII: E86G69A5DF
EC Number: 603-856-9
Nikkaji: J1.030.310I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 22,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 89,1

Physikochemische Eigenschaften

Siedepunkt: 80 °C/12 · 80 °C/12 mmHg (lit.)
Dichte: 1.453 g/mL · 1.453 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.555(lit.)
Flammpunkt: 205 °F · 205 °F
storage temp.: Inert atmosphere,Room Temperature
pka: 1.04 · 1.04±0.10(Predicted)
Aggregatzustand: Liquid
Wichte: 1.453 · 1.453
Farbe: Clear colorless to slightly yellow
BRN: 115150 · 115150
InChI: InChI=1S/C6H6BrNO/c1-9-6-3-2-5(7)4-8-6/h2-4H,1H3
InChIKey: XADICJHFELMBGX-UHFFFAOYSA-N
SMILES: C1(OC)=NC=C(Br)C=C1
LogP: 0.952 · 0.952
CAS Datenbank: 13472 · 13472-85-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 3.7% (2 of 54) of reports.

Warning

H315 (92.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 29-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33886

Hazard Classes and CategoriesSkin Irrit. 2 (92.6%)

Sicherheitsdaten

wgk: 3
hs_code: 29349990
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36-36/37/39
hazard_class: IRRITANT
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

VerwendenA building block for the β-alanine moiety of an αvβ3 antagonist and for the synthesis of a potent and selective somatostatin sst3 receptor antagonist.