3-Bromo-4-fluorobenzonitrile
- Product Name
- 3-Bromo-4-fluorobenzonitrile
- CAS No.
- 79630-23-2
- Chemical Name
- 3-Bromo-4-fluorobenzonitrile
- Synonyms
- LABOTEST-BB LT01143283;4-fluoro-3-bromobenzonitrile;3-BROMO-4-FLUOROBENZONITRILE;5-Cyano-2-fluorobromobenzene;3-Bromo-4-fluorobenzonitrile>Benzonitrile, 3-bromo-4-fluoro-;3-Bromo-4-fluorobenzonitrile98%;3-Bromo-4-fluorobenzonitrile 98%;3-Bromo-4-fluorobenzonitrile ,99%;3-BroMo-4-fluorobenzonitrile, 97+%
- CBNumber
- CB7324590
- Molecular Formula
- C7H3BrFN
- Formula Weight
- 200.01
- MOL File
- 79630-23-2.mol
3-Bromo-4-fluorobenzonitrile Property
- Melting point:
- 54-58 °F(lit.)
- Boiling point:
- 134-136°C 33mm
- Density
- 1.7286 (rough estimate)
- refractive index
- 1.5320 (estimate)
- Flash point:
- >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- color
- White to Light yellow
- Water Solubility
- insoluble
- BRN
- 8198509
- InChI
- InChI=1S/C7H3BrFN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H
- InChIKey
- JKCYKISVUIVZCS-UHFFFAOYSA-N
- SMILES
- C(#N)C1=CC=C(F)C(Br)=C1
- CAS DataBase Reference
- 79630-23-2(CAS DataBase Reference)
Safety
- Hazard Codes
- Xn,T,Xi
- Risk Statements
- 20/21/22-36/37/38
- Safety Statements
- 26-36-36/37/39-22
- RIDADR
- 3439
- WGK Germany
- 3
- Hazard Note
- Toxic
- HazardClass
- 6.1
- PackingGroup
- III
- HS Code
- 29269090
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
H331Toxic if inhaled
H332Harmful if inhaled
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P403+P233Store in a well-ventilated place. Keep container tightly closed.
P405Store locked up.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- 571512
- Product name
- 3-Bromo-4-fluorobenzonitrile
- Purity
- 97%
- Packaging
- 25g
- Price
- $145
- Updated
- 2022/05/15
- Product number
- B1965
- Product name
- 3-Bromo-4-fluorobenzonitrile
- Purity
- >99.0%(GC)
- Packaging
- 5g
- Price
- $41
- Updated
- 2025/07/31
- Product number
- B1965
- Product name
- 3-Bromo-4-fluorobenzonitrile
- Purity
- >99.0%(GC)
- Packaging
- 25g
- Price
- $137
- Updated
- 2025/07/31
- Product number
- B750143
- Product name
- 3-Bromo-4-Fluorobenzonitrile
- Packaging
- 500mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- 3637-B-34
- Product name
- 3-Bromo-4-fluorobenzonitrile
- Purity
- 98%
- Packaging
- 25g
- Price
- $45
- Updated
- 2021/12/16
3-Bromo-4-fluorobenzonitrile Chemical Properties,Usage,Production
Chemical Properties
WHITE CRYSTALLINE LOW MELTING SOLID
Uses
3-Bromo-4-fluorobenzonitrile is mainly used as an intermediate in the synthesis of pesticides, medicines, and dyes in organic synthesis. It is obtained by adding cuprous bromide (CuBr) to 4-fluorobenzonitrile. In industrial applications, halogens can be introduced through specific chemical reactions to synthesize more complex organic compounds.
Synthesis
77771-02-9
79630-23-2
General procedure for the synthesis of 3-bromo-4-fluorobenzonitrile from 3-bromo-4-fluorobenzaldehyde: Tetrahydrofuran (100 mL) was added to a 250 mL reaction flask. Under stirring conditions, 3-bromo-4-fluorobenzaldehyde (10 g, 49.2 mmol) and ammonia (40 mL) were added sequentially. After cooling the reaction mixture to 5 °C, elemental iodine (25 g, 98.5 mmol) was added in batches. Subsequently, the reaction system was warmed to room temperature and stirred continuously for 2 to 3 hours to ensure complete reaction. Upon completion of the reaction, the reaction solution was poured into 10% aqueous sodium sulfite solution (200 g) and extracted twice with methyl tert-butyl ether (100 mL). The organic phases were combined, dried with anhydrous sodium sulfate and concentrated under reduced pressure to remove the solvent. To the residue was added n-heptane (20 mL) and the mixture was cooled to 0-10 °C and maintained for 1 h to promote crystallization. The solid product was collected by filtration and dried under reduced pressure to give 3-bromo-4-fluorobenzonitrile (9.6 g, yield: 97.5%). The resulting compound was confirmed to be structurally consistent with the target product by NMR spectral analysis.
References
[1] Patent: CN108623496, 2018, A. Location in patent: Page/Page column 0043-0048
3-Bromo-4-fluorobenzonitrile Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3-Bromo-4-fluorobenzonitrile manufacturers
- Product
- 3-Bromo-4-fluorobenzonitrile 79630-23-2
- Price
- US $9.00-0.90/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- g-kg-tons, free sample is available
- Release date
- 2024-01-23
- Product
- 3-Bromo-4-fluorobenzonitrile 79630-23-2
- Price
- US $9.80/KG
- Min. Order
- 1KG
- Purity
- ≥98%
- Supply Ability
- 20 tons
- Release date
- 2020-01-09