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
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
Safety
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2904990090
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.
N-Bromosuccinimide Price
- Product number
- B692753
- Product name
- 2-Bromo-4-fluoro-6-nitrotoluene
- Packaging
- 1g
- Price
- $55
- Updated
- 2021/12/16
- Product number
- B692753
- Product name
- 2-Bromo-4-fluoro-6-nitrotoluene
- Packaging
- 5g
- Price
- $125
- Updated
- 2021/12/16
- Product number
- FB74962
- Product name
- 1-Bromo-5-fluoro-2-methyl-3-nitrobenzene
- Packaging
- 25g
- Price
- $400
- Updated
- 2021/12/16
- Product number
- X4543
- Product name
- 2-Bromo-4-fluoro-6-nitrotoluene
- Packaging
- 100g
- Price
- $577
- Updated
- 2021/12/16
- Product number
- 4754-B-26
- Product name
- 2-Bromo-4-fluoro-6-nitrotoluene
- Purity
- 95%
- Packaging
- 25g
- Price
- $595
- Updated
- 2021/12/16
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
- 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
- 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