3,5-DIBROMOBENZONITRILE
- Product Name
- 3,5-DIBROMOBENZONITRILE
- CAS No.
- 97165-77-0
- Chemical Name
- 3,5-DIBROMOBENZONITRILE
- Synonyms
- 3,5-DIBROMOBENZONITRILE;Benzonitrile, 3,5-dibroMo-;3,5-Dibromobenzonitrile 97%;3,5-Dibromobenzonitrile,97%
- CBNumber
- CB0112273
- Molecular Formula
- C7H3Br2N
- Formula Weight
- 260.91
- MOL File
- 97165-77-0.mol
3,5-DIBROMOBENZONITRILE Property
- Melting point:
- 98 °C
- Boiling point:
- 261.2±20.0 °C(Predicted)
- Density
- 2.06±0.1 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- soluble in Methanol
- form
- powder to crystal
- color
- White to Light yellow
- InChI
- InChI=1S/C7H3Br2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
- InChIKey
- QUJGDNCWTBTBQD-UHFFFAOYSA-N
- SMILES
- C(#N)C1=CC(Br)=CC(Br)=C1
- CAS DataBase Reference
- 97165-77-0(CAS DataBase Reference)
Safety
- Hazard Codes
- Xi
- Risk Statements
- 20/21/22-36/37/38
- Safety Statements
- 26-36/37/39-36-23-22-4
- RIDADR
- 3276
- HazardClass
- IRRITANT
- HS Code
- 29269090
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
-
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.
N-Bromosuccinimide Price
- Product number
- D5049
- Product name
- 3,5-Dibromobenzonitrile
- Purity
- >98.0%(GC)
- Packaging
- 1g
- Price
- $54
- Updated
- 2025/07/31
- Product number
- D5049
- Product name
- 3,5-Dibromobenzonitrile
- Purity
- >98.0%(GC)
- Packaging
- 5g
- Price
- $185
- Updated
- 2025/07/31
- Product number
- D426018
- Product name
- 3,5-Dibromobenzonitrile
- Packaging
- 5g
- Price
- $65
- Updated
- 2021/12/16
- Product number
- X2767
- Product name
- 3,5-Dibromobenzonitrile
- Packaging
- 1g
- Price
- $63
- Updated
- 2021/12/16
- Product number
- 024164
- Product name
- 3,5-Dibromobenzonitrile
- Packaging
- 100g
- Price
- $210
- Updated
- 2021/12/16
3,5-DIBROMOBENZONITRILE Chemical Properties,Usage,Production
Uses
3,5-Dibromobenzonitrile is a chemical compound that can be found at high concentrations in the brain of patients with neurodegenerative diseases. 3,5-Dibromobenzonitrile has been shown to bind to metabotropic glutamate receptor 5 (mGluR5) and activate it; it also binds to glutamate receptors. The uptake of 3,5-dibromobenzonitrile by the body is dependent on its molecular orbital type and the functional groups present. Brain tissue samples from patients with neurodegenerative diseases have shown an increase in the amount of 3,5-dibromobenzonitrile binding to mGluR5. This increased binding may be due to a change in the molecular orbitals or functional groups on mGluR5, as well as an increase in expression of this receptor in diseased brains.
Synthesis
626-39-1
97165-77-0
General procedure for the synthesis of 3,5-dibromobenzonitrile from 1,3,5-tribromobenzene: iPrMgCl (2M in THF, 4.1 mL) and THF (5 mL) were added to a flask containing dry LiCl (0.35 g, 8.24 mmol) at 15 °C. After stirring for 15 min, a solution of 3-bromobenzonitrile (1.46 g, 8.03 mmol) in THF (1 mL) was slowly added to the reaction mixture and stirring was continued for 15 min. Subsequently, DMF (1.3 mL, 12 mmol) was slowly added at 0 °C and the mixture was stirred for 2 hours. After completion of the reaction, aqueous NH3 (7 mL, 28-30%) and I2 (4.06 g, 16 mmol) were added to the mixture and stirred for 2 h at room temperature. The reaction mixture was poured into saturated aqueous Na2SO3 solution and extracted with CHCl3 (3 x 30 mL). The organic layers were combined, dried with Na2SO4 and filtered. After removing the solvent under reduced pressure, the residue was purified by silica gel column chromatography (eluent: hexane/ethyl acetate = 9:1, v/v) to afford pure 3,5-dibromobenzonitrile (0.73 g) in 71% yield. Most of the nitrile compounds involved in this study were commercially available and were identified by comparison with authentic samples.
References
[1] Tetrahedron, 2013, vol. 69, # 5, p. 1462 - 1469
3,5-DIBROMOBENZONITRILE Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3,5-DIBROMOBENZONITRILE manufacturers
- Product
- 3,5-DIBROMOBENZONITRILE 97165-77-0
- Price
- US $10.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 10 mt
- Release date
- 2024-11-12
- Product
- 3,5-DIBROMOBENZONITRILE 97165-77-0
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-08-10
- Product
- 3,5-DIBROMOBENZONITRILE 97165-77-0
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 200kg
- Release date
- 2020-01-02