ChemicalBook > CAS DataBase List > 2-BROMO-4-FLUORO-6-NITROTOLUENE

2-BROMO-4-FLUORO-6-NITROTOLUENE

Product Name: 2-BROMO-4-FLUORO-6-NITROTOLUENE
CAS No.: 502496-33-5
Chemical Name: 2-BROMO-4-FLUORO-6-NITROTOLUENE
Synonyms: 1-bromo-5-fluoro-2-methyl-3-nitrobenzene;2-Bromo-4-fluoro-6-n;Bromo-4-fluoro-6-nit;Bromo-4-fluoro-6-nitrotoluene;2-BROMO-4-FLUORO-6-NITROTOLUENE;3-BroMo-5-fluoro-2-Methylnitrobenzene;Benzene, 1-broMo-5-fluoro-2-Methyl-3-nitro-;1-bromo-5-fluoro-2-methyl-3-nitrobenzene,2-Bromo-4-fluoro-6-nitrotoluene;3-Bromo-5-fluoro-2-methylnitrobenzene, 1-Bromo-5-fluoro-2-methyl-3-nitrobenzene
CBNumber: CB6368821
Molecular Formula: C7H5BrFNO2
Formula Weight: 234.02
MOL File: 502496-33-5.mol

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2-BROMO-4-FLUORO-6-NITROTOLUENE Property

Boiling point:: 259.4±35.0 °C(Predicted)
Density: 1.696±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: fused chunks crystalline powder
color: Faint lime fused chunks
InChI: InChI=1S/C7H5BrFNO2/c1-4-6(8)2-5(9)3-7(4)10(11)12/h2-3H,1H3
InChIKey: ZVDFTBJXUXQPAU-UHFFFAOYSA-N
SMILES: C1(Br)=CC(F)=CC([N+]([O-])=O)=C1C

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Safety

Hazard Codes: Xi
Hazard Note: Irritant
HS Code: 2904990090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

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

P302+P352IF ON SKIN: wash with plenty of soap and water.

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

P321Specific treatment (see … on this label).

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P362Take off contaminated clothing and wash before reuse.

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N-Bromosuccinimide Price

TRC

Product number: B692753
Product name: 2-Bromo-4-fluoro-6-nitrotoluene
Packaging: 1g
Price: $55
Updated: 2021/12/16

TRC

Product number: B692753
Product name: 2-Bromo-4-fluoro-6-nitrotoluene
Packaging: 5g
Price: $125
Updated: 2021/12/16

AK Scientific

Product number: J94964
Product name: 2-Bromo-4-fluoro-6-nitrotoluene
Packaging: 1g
Price: $15
Updated: 2021/12/16

AK Scientific

Product number: J94964
Product name: 2-Bromo-4-fluoro-6-nitrotoluene
Packaging: 5g
Price: $45
Updated: 2021/12/16

Matrix Scientific

Product number: 071184
Product name: 1-Bromo-5-fluoro-2-methyl-3-nitrobenzene
Purity: 97%
Packaging: 5g
Price: $54
Updated: 2021/12/16

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2-BROMO-4-FLUORO-6-NITROTOLUENE Chemical Properties,Usage,Production

Uses

2-Bromo-4-fluoro-6-nitrotoluene is a pharmaceutical intermediate for the preparation of Remibrutinib. Remibrutinib is used for the treatment of chronic urticaria or urticaria and is currently in clinical development.

Synthesis

446-10-6

502496-33-5

Step 23a: 3-bromo-5-fluoro-2-methylaniline (Compound 0104-69) was added to a solution of trifluoroacetic acid (40 mL) containing 4-fluoro-2-nitrotoluene (10.0 g, 64.4 mmol). Subsequently, sulfuric acid (12.5 mL) was added slowly and N-bromosuccinimide (NBS, 17.2 g, 96.6 mmol) was added in batches. The reaction mixture was stirred at room temperature for 16 hours. After completion of the reaction, the mixture was slowly poured into ice water and stirring was continued for 15 min. Extraction was carried out with ethyl acetate, the organic layers were combined, washed with saturated brine, dried over anhydrous sodium sulfate and concentrated under reduced pressure to give the target product 1-bromo-5-fluoro-2-methyl-3-nitrobenzene (15.0 g, 100% yield) as a yellow oil. The product was characterized by 1H NMR (400 MHz, DMSO-d6): δ 2.41 (s, 3H), 7.96 (dd, J = 8.0,2.4Hz, 1H), 8.02 (dd, J = 8.0,2.4Hz, 1H).

References

[1] Patent: WO2011/130628, 2011, A1. Location in patent: Page/Page column 155
[2] Patent: US2013/102595, 2013, A1. Location in patent: Paragraph 0279; 0280
[3] Patent: JP2015/187145, 2015, A. Location in patent: Paragraph 0252
[4] Patent: WO2007/122410, 2007, A1. Location in patent: Page/Page column 66
[5] Patent: WO2008/152387, 2008, A1. Location in patent: Page/Page column 33

2-BROMO-4-FLUORO-6-NITROTOLUENE Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 2-BROMO-4-FLUORO-6-NITROTOLUENE manufacturers

Zison Pharmaceutical (Shandong) Co., Ltd.

Product: 2-Bromo-4-fluoro-6-nitrotoluene 502496-33-5
Price: US $0.00-0.00/kg
Min. Order: 1kg
Purity: ＞98% by HPLC
Supply Ability: 200kg/month
Release date: 2025-11-12

Career Henan Chemical Co

Product: 2-BROMO-4-FLUORO-6-NITROTOLUENE 502496-33-5
Price: US $1.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 100kg
Release date: 2019-07-11

502496-33-5, 2-BROMO-4-FLUORO-6-NITROTOLUENERelated Search:

2-Bromo-4-fluoro-6-n

2-BROMO-4-FLUORO-6-NITROTOLUENE

1-bromo-5-fluoro-2-methyl-3-nitrobenzene

3-Bromo-5-fluoro-2-methylnitrobenzene, 1-Bromo-5-fluoro-2-methyl-3-nitrobenzene

Benzene, 1-broMo-5-fluoro-2-Methyl-3-nitro-

3-BroMo-5-fluoro-2-Methylnitrobenzene

Bromo-4-fluoro-6-nitrotoluene

Bromo-4-fluoro-6-nit

1-bromo-5-fluoro-2-methyl-3-nitrobenzene,2-Bromo-4-fluoro-6-nitrotoluene

502496-33-5

Halogen toluene

Intermediate