2-Bromo-5-fluoro-4-nitroaniline
- Product Name
- 2-Bromo-5-fluoro-4-nitroaniline
- CAS No.
- 952664-69-6
- Chemical Name
- 2-Bromo-5-fluoro-4-nitroaniline
- Synonyms
- 2-Bromo-5-fluoro-4-nitro-phenylamine;2-BroMo-5-fluoro-4-nitroaniline;2-broMo-5-fluoro-4-nitrobenzenaMine;BenzenaMine, 2-broMo-5-fluoro-4-nitro-;BenzenaMine, 2-broMo-5-fluoro-4-nitro-2
- CBNumber
- CB32624670
- Molecular Formula
- C6H4BrFN2O2
- Formula Weight
- 235.01
- MOL File
- 952664-69-6.mol
2-Bromo-5-fluoro-4-nitroaniline Property
- Boiling point:
- 364.5±37.0 °C(Predicted)
- Density
- 1.896±0.06 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- -2.19±0.14(Predicted)
- Appearance
- Light yellow to yellow Solid
- InChI
- InChI=1S/C6H4BrFN2O2/c7-3-1-6(10(11)12)4(8)2-5(3)9/h1-2H,9H2
- InChIKey
- PKDUOURYTVRBLI-UHFFFAOYSA-N
- SMILES
- C1(N)=CC(F)=C([N+]([O-])=O)C=C1Br
Safety
- HS Code
- 2921410090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- B695130
- Product name
- 2-Bromo-5-fluoro-4-nitroaniline
- Packaging
- 100mg
- Price
- $60
- Updated
- 2021/12/16
- Product number
- 4655-B-07
- Product name
- 2-Bromo-5-fluoro-4-nitroaniline
- Packaging
- 1g
- Price
- $157
- Updated
- 2021/12/16
- Product number
- CS-M2007
- Product name
- Benzenamine,2-bromo-5-fluoro-4-nitro-
- Packaging
- 5g
- Price
- $55
- Updated
- 2021/12/16
- Product number
- CS-M2007
- Product name
- Benzenamine,2-bromo-5-fluoro-4-nitro-
- Packaging
- 25g
- Price
- $187
- Updated
- 2021/12/16
- Product number
- 102622
- Product name
- 2-Bromo-5-fluoro-4-nitroaniline
- Purity
- >97%
- Packaging
- 500mg
- Price
- $275
- Updated
- 2021/12/16
2-Bromo-5-fluoro-4-nitroaniline Chemical Properties,Usage,Production
Uses
2-Bromo-5-fluoro-4-nitroaniline is a polysubstituted aniline compound containing substituents such as bromine, nitro and fluorine atoms in the 2, 4 and 5 positions of the benzene ring, respectively. This product can be used as an intermediate for Tezacaftor, a cystic fibrosis (CF) combination used to treat patients 6 years of age and older.
Synthesis
2369-13-3
952664-69-6
Bromine (2.15 mL, 42.2 mmol) was added slowly and dropwise to a mixed solution of 3-fluoro-4-nitroaniline (6.5 g, 42.2 mmol) in acetic acid (80 mL) and chloroform (25 mL) at 0 °C. The reaction mixture was stirred at room temperature for 2 hours and then poured into ice water. The pH of the mixture was adjusted to 8.0-9.0 with 10% aqueous sodium hydroxide solution under cooling in an ice bath, followed by extraction with ethyl acetate (50 mL × 3). The organic phases were combined, washed sequentially with water (80 mL × 2) and saturated saline (100 mL), dried over anhydrous sodium sulfate, and concentrated under reduced pressure to afford 2-bromo-5-fluoro-4-nitroaniline (9 g, 90% yield). The product was characterized by 1H-NMR (400 MHz, DMSO-d6): δ 8.26 (d, J=8.0 Hz, 1H), 7.07 (brs, 2H), 6.62 (d, J=9.6 Hz, 1H).
References
[1] Patent: US2007/244159, 2007, A1. Location in patent: Page/Page column 112-113
[2] Patent: US2011/98311, 2011, A1
[3] Patent: US2015/231142, 2015, A1. Location in patent: Paragraph 1640; 1979
[4] Patent: WO2010/53471, 2010, A1. Location in patent: Page/Page column 56-57
[5] Patent: WO2016/109362, 2016, A1. Location in patent: Paragraph 00168
2-Bromo-5-fluoro-4-nitroaniline Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 2-Bromo-5-fluoro-4-nitroaniline manufacturers
- Product
- BenzenaMine, 2-broMo-5-fluoro-4-nitro- 952664-69-6
- Price
- US $1.00/g
- Min. Order
- 1g
- Purity
- 99%
- Supply Ability
- 10000KGS
- Release date
- 2020-01-09