3-BROMO-5-NITROBENZOTRIFLUORIDE

Product Name: 3-BROMO-5-NITROBENZOTRIFLUORIDE
CAS No.: 630125-49-4
Chemical Name: 3-BROMO-5-NITROBENZOTRIFLUORIDE
Synonyms: 1-BROMO-3-NITRO-5-(TRIFLUOROMETHYL)BENZENE;5-Bromo-3-(Trifluoromethyl)nitrobenzene;afoxolaner-008;afoxolaner Impurity 11;BENZENE,1-BROMO-3-NITRO-5;5-bromo-3-nitrobenzotrifluoride;3-BROMO-5-NITROBENZOTRIFLUORIDE;3-bromo-5-nitrotrifluorotoluene;3-Bromine-5-Nitro Benzotrifluoride;3-Bromo-5-nitrobenzotrifluoride97%
CBNumber: CB4709721
Molecular Formula: C7H3BrF3NO2
Formula Weight: 270
MOL File: 630125-49-4.mol

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3-BROMO-5-NITROBENZOTRIFLUORIDE Property

Boiling point:: 223.7±35.0 °C(Predicted)
Density: 1.788±0.06 g/cm3(Predicted)
refractive index: 1.515
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Oil
color: Colourless
InChI: InChI=1S/C7H3BrF3NO2/c8-5-1-4(7(9,10)11)2-6(3-5)12(13)14/h1-3H
InChIKey: YHTVYRKVFAFVLP-UHFFFAOYSA-N
SMILES: C1(Br)=CC(C(F)(F)F)=CC([N+]([O-])=O)=C1
CAS DataBase Reference: 630125-49-4(CAS DataBase Reference)

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Safety

Hazard Codes: Xi
Risk Statements: 20/21/22-36/37/38-36/38
Safety Statements: 26-36/37/39-36/37
HazardClass: IRRITANT
HS Code: 29049090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H312Harmful in contact with skin

H315Causes skin irritation

H319Causes serious eye irritation

H332Harmful if inhaled

Precautionary statements

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P337+P313IF eye irritation persists: Get medical advice/attention.

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N-Bromosuccinimide Price

TCI Chemical

Product number: B5333
Product name: 3-Bromo-5-nitrobenzotrifluoride
Purity: >98.0%(GC)
Packaging: 5g
Price: $26
Updated: 2025/07/31

TCI Chemical

Product number: B5333
Product name: 3-Bromo-5-nitrobenzotrifluoride
Purity: >98.0%(GC)
Packaging: 25g
Price: $70
Updated: 2025/07/31

TRC

Product number: B683805
Product name: 3-Bromo-5-nitrobenzotrifluoride
Packaging: 25g
Price: $95
Updated: 2021/12/16

AK Scientific

Product number: X8352
Product name: 3-Bromo-5-nitrobenzotrifluoride
Packaging: 1g
Price: $14
Updated: 2021/12/16

Matrix Scientific

Product number: 054384
Product name: 3-Bromo-5-nitrobenzotrifluoride
Purity: 98%
Packaging: 5g
Price: $18
Updated: 2021/12/16

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3-BROMO-5-NITROBENZOTRIFLUORIDE Chemical Properties,Usage,Production

Description

3-Bromo-5-nitrobenzotrifluoride is an important organic synthetic compound and a pharmaceutical intermediate component. It can be used in the preparation of SOS1 degraders and nilotinib hydrochloride.

Chemical Properties

Yellow liquid

Uses

3-Bromo-5-nitrobenzotrifluoride is an efficient D-glucosamine-based copper catalyst for C-X couplings and its application in synthesis of nilotinib intermediate. 3-Bromo-5-nitrobenzotrifluoride is also an intermediate for Nilotinib (N465300).

Synthesis

98-46-4

630125-49-4

Example 14 Synthesis of 1-bromo-3-nitro-5-trifluoromethylbenzene (XI): To a solution of 1-nitro-3-trifluoromethylbenzene (41.1 mL, 300 mmol, 97%, purchased from Aldrich) in dichloromethane (240 mL) was slowly added 98% sulfuric acid (45.7 mL, 840 mmol) over a 10 minute period. The two-phase mixture obtained with vigorous stirring was heated to 35 °C and 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione (total 53.1 g, 180 mmol) was added in six equal portions over 5 hours. The mixture was continued to be stirred at 35 °C for 19 h. HPLC analysis showed more than 97% conversion of the starting material. After the reaction mixture was cooled to room temperature, it was added dropwise to a stirred aqueous 2 M NaOH solution (210 mL) at 0-5 °C over 20 min, during which time it was cooled in an ice-water bath, and the internal temperature was briefly raised to about 35 °C. The reaction mixture was then cooled to room temperature, and the internal temperature was raised to about 35 °C. The reaction mixture was then cooled to room temperature. The two layers were separated and the aqueous layer was extracted with hexane (3 x 200 mL). The combined organic layers were washed sequentially with water (200 mL), 5% aqueous sodium bisulfite (2 x 200 mL), 8% aqueous NaHCO3 (200 mL), and 10% aqueous NaCl (200 mL), followed by evaporation of the solvent at 45 °C under reduced pressure. The resulting liquid was distilled at 0.71 mbar and a bath temperature of 70-80 °C to give 1-bromo-3-nitro-5-trifluoromethylbenzene as a light yellow liquid in 89.6% yield (1H-NMR purity about 95%).1H-NMR (400 MHz, CDCl3): δ 8.11 (m, 1H), 8.45 (m, 1H), 8.58-8.59 (m, 1H). 1H). Boiling point: ca. 68 °C (0.71 mbar).

References

[1] Patent: WO2006/135640, 2006, A2. Location in patent: Page/Page column 25-26
[2] RSC Advances, 2015, vol. 5, # 2, p. 1522 - 1528
[3] Patent: US2016/311777, 2016, A1. Location in patent: Paragraph 0028

3-BROMO-5-NITROBENZOTRIFLUORIDE Preparation Products And Raw materials

Raw materials

Preparation Products

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3-BROMO-5-NITROBENZOTRIFLUORIDE Suppliers

Americas 1 CHINA 255 Europe 1 Germany 9 India 11 Italy 1 Japan 1 United Kingdom 11 United States 31 Global 321

Fuxin Simai Chemical Technology Co., Ltd.

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View Lastest Price from 3-BROMO-5-NITROBENZOTRIFLUORIDE manufacturers

Shaanxi Dideu New Materials Co. Ltd

Product: 3-BROMO-5-NITROBENZOTRIFLUORIDE 630125-49-4
Price: US $0.00/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 10000KGS
Release date: 2025-07-26

Shaanxi Dideu Medichem Co. Ltd

Product: 3-Bromo-5-nitrobenzotrifluoride 630125-49-4
Price: US $0.00-0.00/KG
Min. Order: 50mg
Purity: 99%HPLC
Supply Ability: 2000tons
Release date: 2020-01-08

Career Henan Chemical Co

Product: 3-BROMO-5-NITROBENZOTRIFLUORIDE 630125-49-4
Price: US $1.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 20kg
Release date: 2018-08-13

630125-49-4, 3-BROMO-5-NITROBENZOTRIFLUORIDERelated Search:

1-BROMO-3-NITRO-5-(TRIFLUOROMETHYL)BENZENE

3-BROMO-5-NITROBENZOTRIFLUORIDE

Benzene,1-broMo-3-nitro-5-(trifluoroMethyl)-

3-Bromo-5-nitrobenzotrifluoride 97%

3-Bromo-5-nitrobenzotrifluoride97%

BENZENE,1-BROMO-3-NITRO-5

5-bromo-3-nitrobenzotrifluoride

5-Bromo-3-(Trifluoromethyl)nitrobenzene

3-Bromine-5-Nitro Benzotrifluoride

1-bromo-3-nitro-5-(trifluoromethyl)-

3-bromo-5-nitrotrifluorotoluene

1-Bromo-3-nitro-5-(trifluoromethyl)benzene, 3-Bromo-5-(trifluoromethyl)nitrobenzene

afoxolaner-008

afoxolaner Impurity 11

630125-49-4

631025-49-4

C7H3BrF3NO2

Fluorine series