4-Bromophenylacetylene
- Product Name
- 4-Bromophenylacetylene
- CAS No.
- 766-96-1
- Chemical Name
- 4-Bromophenylacetylene
- Synonyms
- 1-BROMO-4-ETHYNYLBENZENE;(4-BromphenyL;4-BROMOPHENYLACETYLENE;(4-BroMphenyl)acetylene;4'-BROMOPHENYL ACETYLENE;1-ETHYNYL-4-BROMOBENZENE;4-Bromophenylacetylene 98%;Benzene, 1-broMo-4-ethynyl-;(4-BROMPHENYL)-ACETYLEN 97%;(4-Bromophenyl)acetylene,97%
- CBNumber
- CB7440678
- Molecular Formula
- C8H5Br
- Formula Weight
- 181.03
- MOL File
- 766-96-1.mol
4-Bromophenylacetylene Property
- Melting point:
- 64-67 °C(lit.)
- Boiling point:
- 88-90°C 16mm
- Density
- 1.4255 (rough estimate)
- refractive index
- 1.6411 (estimate)
- Flash point:
- 88-90°C/16mm
- storage temp.
- Sealed in dry,Store in freezer, under -20°C
- solubility
- Soluble in chloroform, diethyl ether and ethanol.
- form
- Powder, Crystalline Powder or Solid
- color
- White to yellow
- BRN
- 1209726
- InChI
- InChI=1S/C8H5Br/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
- InChIKey
- LTLVZQZDXQWLHU-UHFFFAOYSA-N
- SMILES
- C1(Br)=CC=C(C#C)C=C1
- CAS DataBase Reference
- 766-96-1(CAS DataBase Reference)
- NIST Chemistry Reference
- Benzene, 1-bromo-4-ethynyl-(766-96-1)
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H411Toxic to aquatic life with long lasting effects
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P273Avoid release to the environment.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P391Collect spillage. Hazardous to the aquatic environment
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- 206512
- Product name
- 1-Bromo-4-ethynylbenzene
- Purity
- 97%
- Packaging
- 1g
- Price
- $101
- Updated
- 2025/07/31
- Product number
- B3701
- Product name
- 1-Bromo-4-ethynylbenzene
- Purity
- >98.0%(GC)
- Packaging
- 1g
- Price
- $48
- Updated
- 2025/07/31
- Product number
- B3701
- Product name
- 1-Bromo-4-ethynylbenzene
- Purity
- >98.0%(GC)
- Packaging
- 5g
- Price
- $159
- Updated
- 2025/07/31
- Product number
- B686435
- Product name
- 4-Bromophenylacetylene
- Packaging
- 10g
- Price
- $240
- Updated
- 2021/12/16
- Product number
- JK544196
- Product name
- 1-Bromo-4-ethynylbenzene
- Purity
- 98%
- Packaging
- 5g
- Price
- $251
- Updated
- 2021/12/16
4-Bromophenylacetylene Chemical Properties,Usage,Production
Chemical Properties
Off-White Solid
Uses
Starting material for heterocyclotriynes, second-order nonlinear optical materials, and unsymmetrical 1,4-diarylbutadiynes
Uses
4-Bromophenylacetylene, is used as the starting material for second-order nonlinear optical materials, heterocyclotriynes, and unsymmetrical 1,4-diarylbutadiynes.
Uses
1-Bromo-4-ethynylbenzene was used in the synthesis of 1-bromo-4-(4′-tetrahydropyranyloxy-1′-ethynylphenyl)benzene.
Synthesis Reference(s)
The Journal of Organic Chemistry, 54, p. 3224, 1989 DOI: 10.1021/jo00274a055
Tetrahedron, 62, p. 6673, 2006 DOI: 10.1016/j.tet.2005.12.077
Synthesis
Under nitrogen protection, 25 mL of triethylamine, 1.415 g (5.0 mmol) of 4-bromoiodobenzene, 420 mg (5.0 mmol) of 2-methyl-3-butyn-2-ol, and 70 mg (0.1 mmol) of bis(triphenylphosphine)palladium dichloride (Pd(PPh3)2Cl2), triphenylphosphine ( PPh3) 105 mg (0.4 mmol), copper iodide (CuI) 38 mg (0.2 mmol), 35 ?? reaction until thin layer chromatography monitoring raw materials on the disappearance of bromoiodobenzene spots as the end point. Reaction solution evaporated solvent under reduced pressure, CH2Cl2 dissolved, washed sequentially with 5% dilute hydrochloric acid, saturated NaCl solution, anhydrous MgSO4 drying, filtration. After the filtrate was evaporated the solvent under reduced pressure, the crude product was purified by column chromatography (eluent: petroleum ether:ethyl acetate=10:1) to obtain 4-(4-bromophenyl)-2-methyl-3-butynyl-2-ol as white solid 1.052 g (4.4 mmol) in 90% yield.
.
Under the protection of nitrogen, 30 mL of toluene, 4-(4-bromophenyl)-2-methyl-3-butynyl-2-alcohol 478 mg (2.0 mmol), NaOH 480 mg (12 mmol) and diethylene glycol monoethyl ether 8.6 mL were added to the Schlenk reaction flask, and the reaction was carried out at 75 ?? until the disappearance of spots of raw materials was monitored by thin-layer chromatography as the end point. Cooled to room temperature, washed sequentially with 5% dilute hydrochloric acid, saturated NaCl solution, anhydrous MgSO4 drying, filtration. After the filtrate was evaporated to dry the solvent under reduced pressure, the crude product was purified by column chromatography (eluent petroleum ether) to give a white solid 319 mg (1.76 mmol). NMR spectra proved that the product was (4-bromophenyl)acetylene in 80% yield.
4-Bromophenylacetylene Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 4-Bromophenylacetylene manufacturers
- Product
- 4-Bromophenylacetylene 766-96-1
- Price
- US $7.00-139.00/g
- Min. Order
- 5g
- Purity
- 0.98
- Supply Ability
- 25kg
- Release date
- 2024-04-12
- Product
- 4-Bromophenylacetylene 766-96-1
- Price
- US $100.00-1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- g-kg-tons, free sample is available
- Release date
- 2023-12-26
- Product
- 4-Bromophenylacetylene 766-96-1
- Price
- US $0.00-0.00/Kg/Bag
- Min. Order
- 100g
- Purity
- 99%
- Supply Ability
- 25kg, 50kg
- Release date
- 2021-09-22