Grundinformationen
- Standard-SMILES
Nc1cc(F)ccc1Br- InChIKey
FWTXFEKVHSFTDQ-UHFFFAOYSA-N- Summenformel
- C6H5BrFN
- Durchschnittliche Molmasse
- 190,01 g/mol
- Monoisotopische Masse
- 188,95893948
Namen und Bezeichner
- Bevorzugter Name
- 2-Bromo-5-fluoroaniline
- IUPAC
- 2-bromo-5-fluoroaniline
- Englischer Name
- 2-Bromo-5-fluoroaniline
- Summenformel
- C6H5BrFN
- Molmasse
- 190.01
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1003-99-2- PubChem CID
- 2773317
- DTXSID
DTXSID50378367- EC Number
- 600-091-2
- Nikkaji
- J2.445.007D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 26 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 99,1
Physikochemische Eigenschaften
- Schmelzpunkt
- 43 · 43-47 °C (lit.)
- Siedepunkt
- 154 °C · 154 °C / 23mmHg
- Dichte
- 1.694 · 1.694±0.06 g/cm3(Predicted)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Aggregatzustand
- powder to crystal
- pka
- 1.52 · 1.52±0.10(Predicted)
- Farbe
- White to Light yellow to Dark green
- InChI
- InChI=1S/C6H5BrFN/c7-5-2-1-4(8)3-6(5)9/h1-3H,9H2
- InChIKey
- FWTXFEKVHSFTDQ-UHFFFAOYSA-N
- SMILES
- C1(N)=CC(F)=CC=C1Br
- CAS Datenbank
- 1003 · 1003-99-2(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (13%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN2811
- hs_code
- 29214200
- risk_code
- 36/37/38
- hazard_code
- Xi,T
- hazard_note
- Toxic
- safety_code
- 26-36
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Beschreibung2-bromo-5-fluoroaniline: a intermediate of antitumor drug.2-bromo-5-fluoroaniline is the intermediate of antitumor drug Phortress, phortress is the benzothiazoles CYP1A1 antitumor drugs targeting by Univ Nottingham UK invention, solution becomes lipophilic compound 5F2O3(10 in the sensitive cells but Phortress enters), the latter is as potential aromatic hydrocarbon receptor (AhR) agonist, induce CYP1A1 to express, CYP1A1 metabolism through expressing produces and has high electrophilic active substance again, finally causes DNA damage and apoptosis. The method that, at present, synthetic 2-bromo-5-fluoronitrobenzene prepares 2-bromo-5-fluoroaniline is divided into two large classes:The one: adopt a chemical reduction method, utilizing the chemical reducing agent reductase 2-bromo-5-fluoronitrobenzenes such as protochloride glass putty, iron powder, vat powder, hydrazine, and sodium borohydride (potassium), which is 2-bromo-5-fluoroaniline. The 2nd: adopt hydro-reduction. What we do more often both at home and abroad at present is chloride or the catalytic hydrogenation of fluorine-containing arylamine, and the brominated less report of arylamine hydrogenation mainly is easily by hydrogenolysis because of bromine.
Verwenden2-Bromo-5-fluoroaniline may be used to synthesize:orthobromothiobenzanilide of 5-fluoronitrobenzothiazole2-bromo-5-fluorobenzo[14C]nitrile[3-14C]-5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole2-bromo-5-fluoro-phenyl)-(2-methoxy-6-pentadecyl-benzyl)amine
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter50 Anbieter
Zugehörige Reaktionen
Verknüpfte Notizen
Wird geladen…