5-Bromo-2-(trifluoromethoxy)aniline

Product Name: 5-Bromo-2-(trifluoromethoxy)aniline
CAS No.: 886762-08-9
Chemical Name: 5-Bromo-2-(trifluoromethoxy)aniline
Synonyms: 5-Bromo-2-(trifluoromethoxy)aniline;5-Bromo-2-trifluoromethoxy-phenylamine;2-Amino-4-bromo-trfluoromethoxybenzene;3-Amino-4-(trifluoromethoxy)bromobenzene;Benzenamine, 5-bromo-2-(trifluoromethoxy)-;3-Amino-4-(trifluoromethoxy)bromobenzene98%
CBNumber: CB91107309
Molecular Formula: C7H5BrF3NO
Formula Weight: 256.02
MOL File: 886762-08-9.mol

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5-Bromo-2-(trifluoromethoxy)aniline Property

Boiling point:: 230.2±35.0 °C(Predicted)
Density: 1.726±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 1.38±0.10(Predicted)
form: liquid
color: Pale yellow
InChI: InChI=1S/C7H5BrF3NO/c8-4-1-2-6(5(12)3-4)13-7(9,10)11/h1-3H,12H2
InChIKey: FOJWHUFRHXEUBA-UHFFFAOYSA-N
SMILES: C1(N)=CC(Br)=CC=C1OC(F)(F)F

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Safety

Hazard Codes: Xi
RIDADR: UN2811
HS Code: 2922500090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P260Do not breathe dust/fume/gas/mist/vapours/spray.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

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N-Bromosuccinimide Price

TRC

Product number: B810638
Product name: 5-Bromo-2-(trifluoromethoxy)aniline
Packaging: 50mg
Price: $60
Updated: 2021/12/16

SynQuest Laboratories

Product number: 4656-B-52
Product name: 5-Bromo-2-(trifluoromethoxy)aniline
Purity: 98%
Packaging: 5G
Price: $16
Updated: 2021/12/16

AK Scientific

Product number: J97997
Product name: 5-Bromo-2-(trifluoromethoxy)aniline
Packaging: 25g
Price: $30
Updated: 2021/12/16

SynQuest Laboratories

Product number: 4656-B-52
Product name: 5-Bromo-2-(trifluoromethoxy)aniline
Purity: 98%
Packaging: 25g
Price: $56
Updated: 2021/12/16

AK Scientific

Product number: J97997
Product name: 5-Bromo-2-(trifluoromethoxy)aniline
Packaging: 100g
Price: $85
Updated: 2021/12/16

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5-Bromo-2-(trifluoromethoxy)aniline Chemical Properties,Usage,Production

Description

5-Bromo-2-(trifluoromethoxy)aniline has a wide range of applications in scientific research. It is used as a reagent in organic synthesis and as a catalyst in polymerization reactions. It is also used as a building block for the synthesis of other organic compounds, such as pharmaceuticals and agrochemicals. It is also used in the synthesis of heterocyclic compounds and in the preparation of metal complexes.

Uses

5-Bromo-2-(trifluoromethoxy)aniline (5-BTA) is a drug with inhibitory activity against cell proliferation and has been shown to be effective in inhibiting the growth of certain cancer cells, such as those expressing tyrosine kinase isoforms. 5-BTA is also capable of blocking cell proliferation through inhibition of other enzymes (e.g., protein kinases). The oral Bioavailability of 5-BTA has been demonstrated in rats and mice. A2780 cells are human lung cancer cells with mutations in the gene encoding tyrosine kinase. Selectivity for tyrosine kinase isoforms was observed in vitro and in vivo.

Synthesis

95668-20-5

886762-08-9

Synthesis of 5-bromo-2-(trifluoromethoxy)aniline (1): to a solution of 4-bromo-2-nitro-1-(trifluoromethoxy)benzene (2.0 g, 7.0 mmol) in acetic acid (10.0 mL) was added powdered iron (1.0 g, 17.9 mmol) batchwise at 0-10 °C. The reaction mixture was stirred at room temperature for 2 hours. Upon completion of the reaction, the acetic acid was removed by distillation and the residue was diluted with water and the pH was adjusted to alkaline with saturated sodium bicarbonate solution. Subsequently, the aqueous phase was extracted with ethyl acetate (2 x 50 mL). The organic layers were combined, dried over anhydrous sodium sulfate, and concentrated under reduced pressure to give the brown colloidal solid product 1 (1.2 g, 70% yield).1H NMR (400 MHz, DMSO-d6): δ 5.68 (s, 2H), 6.65-6.66 (dd, J=2.4 Hz, 6.2 Hz, 1H), 6.95-6.96 (d, J=2.5 Hz. 1H), 7.01-7.01 (dd, J=1.4Hz, 8.6Hz, 1H). ms m/z (M+H): 256.3.

References

[1] Patent: WO2014/149164, 2014, A1. Location in patent: Paragraph 00758; 00892
[2] Patent: EP3150592, 2017, A1. Location in patent: Paragraph 0126; 0127; 0128

5-Bromo-2-(trifluoromethoxy)aniline Preparation Products And Raw materials

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View Lastest Price from 5-Bromo-2-(trifluoromethoxy)aniline manufacturers

Shaanxi Dideu Medichem Co. Ltd

Product: 3-Amino-4-(trifluoromethoxy)BromoBenzene 886762-08-9
Price: US $0.00-0.00/KG
Min. Order: 10mg
Purity: 99%HPLC
Supply Ability: 2000tons
Release date: 2020-01-17

Hong Kong Tiansheng New Material Trading Co., Ltd

Product: 5-Bromo-2-(trifluoromethoxy)aniline 886762-08-9
Price: US $100.00/Kg/Bag
Min. Order: 1KG
Purity: 99%
Supply Ability: 10kg
Release date: 2021-09-13

Hong Kong Tiansheng New Material Trading Co., Ltd

Product: 5-Bromo-2-(Trifluoromethoxy)Aniline 886762-08-9
Price: US $100.00/Kg/Bag
Min. Order: 1Kg/Bag
Purity: 98%
Supply Ability: 10KG
Release date: 2021-09-15

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886762-08-9

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