4-Bromo-2,6-difluoroanisole

HCID 2773287CAS 104197-14-0

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Grundinformationen

Standard-SMILES: COc1c(F)cc(Br)cc1F
InChIKey: CDOQKISJPOWBKC-UHFFFAOYSA-N
Summenformel: C7H5BrF2O
Durchschnittliche Molmasse: 223,01 g/mol
Monoisotopische Masse: 221,94918

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-2,6-difluoroanisole
IUPAC: 5-bromo-1,3-difluoro-2-methoxybenzene
Englischer Name: 4-Bromo-2,6-difluoroanisole
Summenformel: C7H5BrF2O
Molmasse: 223.01

Namen und Synonyme

4-Bromo-2,6-difluoroanisole104197-14-0DTXSID20378339RefChem:98037DTXCID20329366642-791-05-Bromo-1,3-difluoro-2-methoxybenzeneMFCD016313515-bromo-1,3-difluoro-2-methoxy-benzene4-bromo-2,6-difluorophenyl methyl etherBenzene, 5-bromo-1,3-difluoro-2-methoxy-4-bromo-2,6-difluoranisole

Weitere Namen anzeigen

CAS:104197-14-04-Bromo-2,6-difluoroanisole98%4-Bromo-2,6-difluoroanisole >4-Bromo-2,6-difluoroanisole 98%4-bromo-2, 6-difluorophenyl ether4-Bromo-2,6-difluoroanisole, 97+%

SCHEMBL109864-bromo-2,6-difluoro-anisol3,5-difluoro-4-methoxy-bromobenzeneSBB096414AKOS015835523CS-W0131041-Bromo-3,5-difluoro-4-methoxybenzenePS-10172

Datenbank-Bezeichner

CAS: 104197-14-0
PubChem CID: 2773287
DTXSID: DTXSID20378339
EC Number: 642-791-0
Nikkaji: J1.302.328J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 9,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 122

Physikochemische Eigenschaften

Siedepunkt: 80 · 80-100°C 15mm
Dichte: 1.65 · 1.65
Brechungsindex: 1.51 · 1.5100
Flammpunkt: 80 · 80-100°C/15mm
storage temp.: 2 · Sealed in dry,2-8°C
Aggregatzustand: clear liquid
Farbe: Light yellow to Brown
Wasserlöslichkeit: Insoluble in water.
InChI: InChI=1S/C7H5BrF2O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
InChIKey: CDOQKISJPOWBKC-UHFFFAOYSA-N
SMILES: C1(F)=CC(Br)=CC(F)=C1OC
CAS Datenbank: 104197 · 104197-14-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (37.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 8 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.