2-Bromo-5-fluoroaniline , 98% , 1003-99-2

CAS NO.：1003-99-2

Empirical Formula: C6H5BrFN

Molecular Weight: 190.01

MDL number: MFCD00070750

PRODUCT Properties

• Melting point: 43-47 °C (lit.)
• Boiling point: 154 °C / 23mmHg
• Density: 1.694±0.06 g/cm3(Predicted)
• Flash point: >230 °F
• storage temp.: Keep in dark place,Sealed in dry,Room Temperature
• form: powder to crystal
• pka: 1.52±0.10(Predicted)
• color: 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 DataBase Reference: 1003-99-2(CAS DataBase Reference)

Description and Uses

2-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.

2-Bromo-5-fluoroaniline may be used to synthesize:

• orthobromothiobenzanilide of 5-fluoronitrobenzothiazole
• 2-bromo-5-fluorobenzo[¹⁴C]nitrile
• [3-¹⁴C]-5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole
• 2-bromo-5-fluoro-phenyl)-(2-methoxy-6-pentadecyl-benzyl)amine

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338
• Hazard Codes: Xi,T
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• RIDADR: UN2811
• WGK Germany: 3
• Hazard Note: Toxic
• HazardClass: 6.1
• PackingGroup: III
• HS Code: 29214200