Grundinformationen
- Standard-SMILES
FC(F)(F)Oc1ccc(Br)cc1- InChIKey
SEAOBYFQWJFORM-UHFFFAOYSA-N- Summenformel
- C7H4BrF3O
- Durchschnittliche Molmasse
- 241 g/mol
- Monoisotopische Masse
- 239,93976
Namen und Bezeichner
- Bevorzugter Name
- 1-Bromo-4-(trifluoromethoxy)benzene
- IUPAC
- 1-bromo-4-(trifluoromethoxy)benzene
- Lokaler Name
- 1-Brom-4-(trifluormethoxy)benzol
- Englischer Name
- 1-Bromo-4-(trifluoromethoxy)benzene
- Summenformel
- C7H4BrF3O
- Molmasse
- 241.01
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
407-14-7- PubChem CID
- 521008
- DTXSID
DTXSID90193672- UNII
- AD5CH69MK6
- EC Number
- 206-979-2
- Nikkaji
- J213.665A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,8
- Polarare Oberfläche (TPSA)
- 9,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 140
Physikochemische Eigenschaften
- Siedepunkt
- 80 °C50 · 80 °C50 mm Hg(lit.)
- Dichte
- 1.622 g/mL · 1.622 g/mL at 25 °C(lit.)
- Dampfdruck
- 20 hPa · 20 hPa (55 °C)
- Brechungsindex
- 20 · n20/D 1.461(lit.)
- Flammpunkt
- 154 °F · 154 °F
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- 11.7 mg/l · 11.7mg/l
- Aggregatzustand
- Liquid
- Wichte
- 1.64 · 1.64
- Farbe
- Clear colorless to yellow
- Wasserlöslichkeit
- 11.7 mg/L · 11.7mg/L
- BRN
- 2046332 · 2046332
- InChI
- InChI=1S/C7H4BrF3O/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H
- InChIKey
- SEAOBYFQWJFORM-UHFFFAOYSA-N
- SMILES
- C1(Br)=CC=C(OC(F)(F)F)C=C1
- CAS Datenbank
- 407 · 407-14-7(CAS DataBase Reference)
- NIST chemische Informationen
- P-bromophenyl trifluoromethyl ether(407-14-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (70.9%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (83.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H334 (70.9%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory];H335 (81.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 55 reports by companies from 8 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.
Gefahrenhinweise
Regulatorische Informationen
Sicherheitsdaten
- wgk
- 1
- ridadr
- UN 3082 9/PG 3
- hs_code
- 29093090
- risk_code
- 22-36/37/38-43-51/53
- Toxizität
- LD50 orally in Rabbit: > 2500 mg/kg
- hazard_code
- Xn,N,Xi
- safety_code
- 26-36/37-61-37/39-36
- hazard_class
- IRRITANT
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Skin Irrit. 2
Chemie und Industrie
Anwendungen
Verwenden1-Bromo-4-(trifluoromethoxy)benzene was used in the synthesis of 4-{[4-[(2-ethylhexyloxy)-6-(4-morpholinylmethyl)-4-trifluoromethyl][1,1-biphenyl]-3-yl]methyl}morpholine.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter50 Anbieter
Zugehörige Reaktionen
Verknüpfte Notizen
Wird geladen…