2-Bromo-5-fluoroaniline

HCID 2773317CAS 1003-99-2

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

2-Bromo-5-fluoroaniline1003-99-22-bromo-5-fluorobenzenamineDTXSID50378367RefChem:466832DTXCID50329394600-091-2benzenamine, 2-bromo-5-fluoro-2-bromo-5-fluoro-anilineMFCD000707505-fluoro-2-bromoaniline2-Bromo-5-fluoro aniline
Weitere Namen anzeigen
2-Bromo-5-fluoro-phenylamine2-Bromo-5-fluoroanilVandetanib Impurity 313-Cyanophenyl&isocyanate2-Bromo-5-fluoroaniline98%2-Bromo-5-fluoroaniline >2-Bromo-5-fluoroaniline 98%2-Bromo-5-fluoroaniline,99%
SCHEMBL109237CL8389AKOS005064046CS-W001130PS-8400B2163EN300-1060612-bromo-5-fluorophenylamine

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

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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

Hazard Classes and CategoriesAcute Tox. 4 (13%)

Sicherheitsdaten

wgk
3
ridadr
UN2811
hs_code
29214200
risk_code
36/37/38
hazard_code
Xi,T
hazard_note
Toxic

Chemie und Industrie

Anwendungen · 2 Einträge

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

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