2-Bromo-5-fluoro-4-nitroaniline 952664-69-6

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Product Name: 2-Bromo-5-fluoro-4-nitroaniline Synonyms: BenzenaMine, 2-broMo-5-fluoro-4-nitro-;2-broMo-5-fluoro-4-nitrobenzenaMine;BenzenaMine, 2-broMo-5-fluoro-4-nitro-2;2-Bromo-5-fluoro-4-nitro-phenylamine;2-BroMo-5-fluoro-4-nitroaniline CAS: 952664-69-6 MF: C6H4BrFN2O2 MW: 235.01 EINECS: Product Categories: Mol File: 952664-69-6.mol 2-Bromo-5-fluoro-4-nitroaniline Chemical Properties 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 Information HS Code  2921410090 MSDS Information 2-Bromo-5-fluoro-4-nitroaniline Usage And Synthesis 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

First aid measures

General advice Consult a physician. Show this material safety data sheet to the doctor in attendance. If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

Firefighting measures

Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Special hazards arising from the substance or mixture Carbon oxides Nitrogen oxides (NOx) Advice for firefighters Wear self-contained breathing apparatus for firefighting if necessary.



——  Q&A  ——

Q1:Do you provide sample?

A: Yes, we can provide free sample, you only need pay the shipping cost.

Q2: What is the lead time?

A: For stock goods, it usually take about 5-7 days by air, 15-30 days by sea,For customized products, the delivery time needs to be confirmed based on the actual situation.

Q3: How can I buy? What is the payment method?

A: You can contract us through Email or you can browse our website:orientchem.cc, we have bank transfer,

A：We attach great importance to after-sales service of our products. If there are any quality issues, please contact us within 30 days of receiving the goods and we will handle returns and exchanges for you.