Grundinformationen
- Standard-SMILES
BrCCOc1ccccc1- InChIKey
JJFOBACUIRKUPN-UHFFFAOYSA-N- Summenformel
- C8H9BrO
- Durchschnittliche Molmasse
- 201,06 g/mol
- Monoisotopische Masse
- 199,98367701
Namen und Bezeichner
- Bevorzugter Name
- Benzene, (2-bromoethoxy)-
- IUPAC
- 2-bromoethoxybenzene
- Lokaler Name
- 2-Bromethylphenylether
- Englischer Name
- 2-Phenoxyethylbromide
- Summenformel
- C8H9BrO
- Molmasse
- 201.06
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
589-10-6- PubChem CID
- 68526
- DTXSID
DTXSID9049322- ChEMBL
CHEMBL3188706- EC Number
- 209-634-4
- Nikkaji
- J94.983C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 9,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 79,3
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 31 · 31-34 °C(lit.)
- Siedepunkt
- 144 °C40 · 144 °C40 mm Hg(lit.)
- Dichte
- 1.45 · 1.45
- Brechungsindex
- 1.555 · 1.555-1.557
- Flammpunkt
- 150 °F · 150 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- Solubility in methanol is almost transparent. Soluble in chloroform and ethyl acetate.
- Aggregatzustand
- Liquid After Melting
- Farbe
- Clear colorless
- Wasserlöslichkeit
- Insoluble in water.
- BRN
- 508290 · 508290
- InChI
- 1S/C8H9BrO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2
- InChIKey
- JJFOBACUIRKUPN-UHFFFAOYSA-N
- SMILES
- BrCCOc1ccccc1
- CAS Datenbank
- 589 · 589-10-6(CAS DataBase Reference)
- NIST chemische Informationen
- Benzene, (2-bromoethoxy)-(589-10-6)
- EPA chemische Informationen
- Benzene, (2-bromoethoxy)- (589-10-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 4.2% (2 of 48) of reports.
Warning
H302 (81.2%): 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
Peroxide Forming Chemical
beta-Bromophenetole
D: Other compounds that may form peroxides
Kelly
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 1325
- hs_code
- 29093038
- risk_code
- 36/37/38-22
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 23-24/25-26
- hazard_class
- 4.1
- packing_group
- II
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden2-Phenoxyethyl bromide is used in the synthesis and antihypertensive activity of 4'-substituted spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-ones.
Darstellung
synthetische2-Phenoxyethyl bromide is synthesized by the reaction of phenol and dibromoethane. Put phenol, dibromoethane and sodium hydroxide in a reaction pot and stir and mix, react at 110 °C for 6 hours, recover dibromoethane, the recovery amount is about 60%, wash with 5% sodium hydroxide solution and water, and divide Take the oil layer, distill under reduced pressure, and collect the fractions at 130-150°C (6.7kPa) to obtain (2-bromoethoxy)benzene.
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