2-Bromo-5-fluoroanisole

HCID 7018043

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Grundinformationen

CAS: 450-88-4
Standard-SMILES: COc1cc(F)ccc1Br
InChIKey: KGYXKRGMSUHYCY-UHFFFAOYSA-N
Summenformel: C7H6BrFO
Durchschnittliche Molmasse: 205,02 g/mol
Monoisotopische Masse: 203,95860513

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-5-fluoroanisole
IUPAC: 1-bromo-4-fluoro-2-methoxybenzene
Englischer Name: 2-Bromo-5-fluoroanisole
Summenformel: C7H6BrFO
Molmasse: 205.02

Namen und Synonyme

2-Bromo-5-fluoroanisole450-88-4DTXSID00426943RefChem:257345DTXCID30377777626-484-91-bromo-4-fluoro-2-methoxybenzeneBenzene, 1-bromo-4-fluoro-2-methoxy-MFCD049737521-bromo-4-fluoro-2-methoxy-benzenebromo-4-fluoro-2-methoxybenzene2-Bromo-5-fluoroanisole, 99%

Weitere Namen anzeigen

BUTTPARK 87\07-622-Bromo-5-fluoroanisole >2-Bromo-5-fluoroanisole98+%2-bromo-5-fluorobenzane ether2-methoxy-4-fluorobromobenzene2-BroMo-5-fluoroanisole, 95.0%(GC)2-Bromo-5-fluoroanisole ISO 9001：2015 REACH

2-Methoxy4-fluoro-1-bromobenzeneAKOS005257891CS-W007814AC-9663EN300-799601-Bromo-4-fluoro-2-(methoxy-d3)benzene2070932-23-7AM61549

Datenbank-Bezeichner

CAS: 450-88-4
PubChem CID: 7018043
DTXSID: DTXSID00426943
EC Number: 626-484-9
Nikkaji: J1.905.138B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 9,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 110

Physikochemische Eigenschaften

Siedepunkt: 143 · 143-145 °C
Dichte: 1.5983 · 1.5983
Brechungsindex: 1.542 · 1.542
Flammpunkt: 90 °C · 90 °C
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow
InChIKey: KGYXKRGMSUHYCY-UHFFFAOYSA-N
CAS Datenbank: 450 · 450-88-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (85.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (85.4%)

Sicherheitsdaten

wgk: 3
hs_code: 29093090
risk_code: 36/37/38-36-22
hazard_code: Xn
hazard_note: Harmful
safety_code: 26-36/37/39

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Bromo-5-fluoroanisole is a halogenated anisole compound, the chemical reactivity of which is mainly concentrated on the bromine atom on its benzene ring. It can be used as an organic synthesis intermediate and a synthetic raw material for drug molecules. For example, literature reports that the substance can be used for the preparation of the drug molecule anacetrapib.